(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

C108H121N23O12 — CID 158109434

IUPAC(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOC[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H41N7O4.C35H40N8O4.C34H40N8O4/c1-26(2)50-32-12-9-29(10-13-32)36-33-23-31(11-14-34(33)43-44-36)42-38(48)39(49-3)17-22-45(25-39)24-35(47)46-20-15-28(16-21-46)27-5-7-30(8-6-27)37-40-18-4-19-41-37;1-46-24-35(34(45)38-28-7-8-30-29(21-28)33(40-39-30)43-17-19-47-20-18-43)11-16-41(23-35)22-31(44)42-14-9-26(10-15-42)25-3-5-27(6-4-25)32-36-12-2-13-37-32;1-45-34(33(44)37-27-7-8-29-28(21-27)32(39-38-29)42-17-19-46-20-18-42)11-16-40(23-34)22-30(43)41-14-9-25(10-15-41)24-3-5-26(6-4-24)31-35-12-2-13-36-31/h4-15,18-19,23,26H,16-17,20-22,24-25H2,1-3H3,(H,42,48)(H,43,44);2-9,12-13,21H,10-11,14-20,22-24H2,1H3,(H,38,45)(H,39,40);2-8,12-13,21,25H,9-11,14-20,22-23H2,1H3,(H,37,44)(H,38,39)/t39-;35-;34-/m010/s1
InChIKeyFQFYCHGCWOUADZ-CCVCYNAOSA-N
MW1933.30 g/mol
LogP12.56
Rot. Bonds27

About (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 158109434) has the molecular formula C108H121N23O12 and a molecular weight of 1933.30 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID158109434
Molecular FormulaC108H121N23O12
Molecular Weight1933.30 g/mol
Exact Mass1931.96
IUPAC Name(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOC[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H41N7O4.C35H40N8O4.C34H40N8O4/c1-26(2)50-32-12-9-29(10-13-32)36-33-23-31(11-14-34(33)43-44-36)42-38(48)39(49-3)17-22-45(25-39)24-35(47)46-20-15-28(16-21-46)27-5-7-30(8-6-27)37-40-18-4-19-41-37;1-46-24-35(34(45)38-28-7-8-30-29(21-28)33(40-39-30)43-17-19-47-20-18-43)11-16-41(23-35)22-31(44)42-14-9-26(10-15-42)25-3-5-27(6-4-25)32-36-12-2-13-37-32;1-45-34(33(44)37-27-7-8-29-28(21-27)32(39-38-29)42-17-19-46-20-18-42)11-16-40(23-34)22-30(43)41-14-9-25(10-15-41)24-3-5-26(6-4-24)31-35-12-2-13-36-31/h4-15,18-19,23,26H,16-17,20-22,24-25H2,1-3H3,(H,42,48)(H,43,44);2-9,12-13,21H,10-11,14-20,22-24H2,1H3,(H,38,45)(H,39,40);2-8,12-13,21,25H,9-11,14-20,22-23H2,1H3,(H,37,44)(H,38,39)/t39-;35-;34-/m010/s1
InChIKeyFQFYCHGCWOUADZ-CCVCYNAOSA-N
XLogP12.56
TPSA383.19 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms143
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.30
LogP ≤ 512.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide (CID 158109434) is (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide is COC[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(N4CCOCC4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is FQFYCHGCWOUADZ-CCVCYNAOSA-N. The full InChI is InChI=1S/C39H41N7O4.C35H40N8O4.C34H40N8O4/c1-26(2)50-32-12-9-29(10-13-32)36-33-23-31(11-14-34(33)43-44-36)42-38(48)39(49-3)17-22-45(25-39)24-35(47)46-20-15-28(16-21-46)27-5-7-30(8-6-27)37-40-18-4-19-41-37;1-46-24-35(34(45)38-28-7-8-30-29(21-28)33(40-39-30)43-17-19-47-20-18-43)11-16-41(23-35)22-31(44)42-14-9-26(10-15-42)25-3-5-27(6-4-25)32-36-12-2-13-37-32;1-45-34(33(44)37-27-7-8-29-28(21-27)32(39-38-29)42-17-19-46-20-18-42)11-16-40(23-34)22-30(43)41-14-9-25(10-15-41)24-3-5-26(6-4-24)31-35-12-2-13-36-31/h4-15,18-19,23,26H,16-17,20-22,24-25H2,1-3H3,(H,42,48)(H,43,44);2-9,12-13,21H,10-11,14-20,22-24H2,1H3,(H,38,45)(H,39,40);2-8,12-13,21,25H,9-11,14-20,22-23H2,1H3,(H,37,44)(H,38,39)/t39-;35-;34-/m010/s1.
What are the key properties of (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
(3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 1933.30 g/mol, XLogP of 12.56, 27 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-(3-morpholin-4-yl-1H-indazol-5-yl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158109434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).