N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide

C53H49F2N11O6 — CID 144998379

IUPACN-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide
SMILESCC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4CC(O)c4ccc(F)c(-c5cnc(-n6nc(C7CC7)c7ccc(C(=O)N8CCOCC8)cc76)nc5)c4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1
InChIInChI=1S/C53H49F2N11O6/c1-28(67)30-7-11-42(54)39(17-30)35-23-59-53(60-24-35)66-45-20-32(50(70)63(2)27-47(56)69)5-10-38(45)49(62-66)41-19-34(41)22-46(68)31-8-12-43(55)40(18-31)36-25-57-52(58-26-36)65-44-21-33(51(71)64-13-15-72-16-14-64)6-9-37(44)48(61-65)29-3-4-29/h5-12,17-18,20-21,23-26,28-29,34,41,46,67-68H,3-4,13-16,19,22,27H2,1-2H3,(H2,56,69)
InChIKeyUAHQOGUOAATLAM-UHFFFAOYSA-N
MW974.04 g/mol
LogP6.74
Rot. Bonds14

About N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide

N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide (PubChem CID 144998379) has the molecular formula C53H49F2N11O6 and a molecular weight of 974.04 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide
PubChem CID144998379
Molecular FormulaC53H49F2N11O6
Molecular Weight974.04 g/mol
Exact Mass973.38
IUPAC NameN-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide
SMILESCC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4CC(O)c4ccc(F)c(-c5cnc(-n6nc(C7CC7)c7ccc(C(=O)N8CCOCC8)cc76)nc5)c4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1
InChIInChI=1S/C53H49F2N11O6/c1-28(67)30-7-11-42(54)39(17-30)35-23-59-53(60-24-35)66-45-20-32(50(70)63(2)27-47(56)69)5-10-38(45)49(62-66)41-19-34(41)22-46(68)31-8-12-43(55)40(18-31)36-25-57-52(58-26-36)65-44-21-33(51(71)64-13-15-72-16-14-64)6-9-37(44)48(61-65)29-3-4-29/h5-12,17-18,20-21,23-26,28-29,34,41,46,67-68H,3-4,13-16,19,22,27H2,1-2H3,(H2,56,69)
InChIKeyUAHQOGUOAATLAM-UHFFFAOYSA-N
XLogP6.74
TPSA220.60 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.04
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide with MolForge

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Related Compounds

(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685671
[1-(2-Aminopyrimidin-4-yl)-6-(1,3-difluoro-2-hydroxypropan-2-yl)indazol-3-yl]-morpholin-4-ylmethanone
CID 68192814
[1-(2-Aminopyrimidin-4-yl)-6-(1-fluoro-2-hydroxypropan-2-yl)indazol-3-yl]-morpholin-4-ylmethanone
CID 68192922
N-(2-amino-2-oxoethyl)-1-[5-[2-fluoro-5-(2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]-N,3-dimethylindazole-6-carboxamide
CID 118662699
[1-[5-(5-Cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
CID 118662709
[3-Cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
CID 118662711
4-Fluoro-3-[2-[3-(1-hydroxyethyl)-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]benzonitrile
CID 118662718
(1-(5-(5-Ethyl-2-fluorophenyl)pyrimidin-2-yl)-3-(1-hydroxyethyl)-1H-indazol-6-yl)(morpholino)methanone
CID 118662736
N-(2-amino-2-oxoethyl)-3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide
CID 118662739
N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)-N-methylindazole-6-carboxamide
CID 118662740
[1-[5-(2-Fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
CID 118662745
[1-[5-(2-Fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone
CID 118662764

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide (CID 144998379) is N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide is CC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4CC(O)c4ccc(F)c(-c5cnc(-n6nc(C7CC7)c7ccc(C(=O)N8CCOCC8)cc76)nc5)c4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide?
The InChIKey is UAHQOGUOAATLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49F2N11O6/c1-28(67)30-7-11-42(54)39(17-30)35-23-59-53(60-24-35)66-45-20-32(50(70)63(2)27-47(56)69)5-10-38(45)49(62-66)41-19-34(41)22-46(68)31-8-12-43(55)40(18-31)36-25-57-52(58-26-36)65-44-21-33(51(71)64-13-15-72-16-14-64)6-9-37(44)48(61-65)29-3-4-29/h5-12,17-18,20-21,23-26,28-29,34,41,46,67-68H,3-4,13-16,19,22,27H2,1-2H3,(H2,56,69).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide?
N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide has a molecular weight of 974.04 g/mol, XLogP of 6.74, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[2-[2-[3-[2-[3-cyclopropyl-6-(morpholine-4-carbonyl)indazol-1-yl]pyrimidin-5-yl]-4-fluorophenyl]-2-hydroxyethyl]cyclopropyl]-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-methylindazole-6-carboxamide is sourced from PubChem (CID 144998379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).