2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C59H56F9N19O4 — CID 162591909

IUPAC2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1=CC(NC(=O)c2c(C)nn3ccc(N4CCC[C@@H]4C(F)(F)F)nc23)=CN(c2cc(N3CCC(C(F)(F)F)CC3)nc3c(C(=O)Nc4cnc(N5C=C(C(=O)Nc6cc(-c7cnco7)ccn6)C6=NC(N7CCC(C(F)(F)F)CC7)C=CN65)c(C)c4)cnn23)C1
InChIInChI=1S/C59H56F9N19O4/c1-32-21-39(74-56(90)49-34(3)79-84-19-11-46(77-53(49)84)83-14-4-5-43(83)59(66,67)68)29-82(28-32)48-24-47(81-17-9-37(10-18-81)58(63,64)65)78-52-40(26-72-87(48)52)54(88)73-38-22-33(2)50(71-25-38)86-30-41(55(89)75-44-23-35(6-13-70-44)42-27-69-31-91-42)51-76-45(12-20-85(51)86)80-15-7-36(8-16-80)57(60,61)62/h6,11-13,19-27,29-31,36-37,43,45H,4-5,7-10,14-18,28H2,1-3H3,(H,73,88)(H,74,90)(H,70,75,89)/t43-,45?/m1/s1
InChIKeyUACHRUYDAPNJER-LOARSGCDSA-N
MW1266.21 g/mol
LogP9.52
Rot. Bonds12

About 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162591909) has the molecular formula C59H56F9N19O4 and a molecular weight of 1266.21 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162591909
Molecular FormulaC59H56F9N19O4
Molecular Weight1266.21 g/mol
Exact Mass1265.46
IUPAC Name2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1=CC(NC(=O)c2c(C)nn3ccc(N4CCC[C@@H]4C(F)(F)F)nc23)=CN(c2cc(N3CCC(C(F)(F)F)CC3)nc3c(C(=O)Nc4cnc(N5C=C(C(=O)Nc6cc(-c7cnco7)ccn6)C6=NC(N7CCC(C(F)(F)F)CC7)C=CN65)c(C)c4)cnn23)C1
InChIInChI=1S/C59H56F9N19O4/c1-32-21-39(74-56(90)49-34(3)79-84-19-11-46(77-53(49)84)83-14-4-5-43(83)59(66,67)68)29-82(28-32)48-24-47(81-17-9-37(10-18-81)58(63,64)65)78-52-40(26-72-87(48)52)54(88)73-38-22-33(2)50(71-25-38)86-30-41(55(89)75-44-23-35(6-13-70-44)42-27-69-31-91-42)51-76-45(12-20-85(51)86)80-15-7-36(8-16-80)57(60,61)62/h6,11-13,19-27,29-31,36-37,43,45H,4-5,7-10,14-18,28H2,1-3H3,(H,73,88)(H,74,90)(H,70,75,89)/t43-,45?/m1/s1
InChIKeyUACHRUYDAPNJER-LOARSGCDSA-N
XLogP9.52
TPSA231.29 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001266.21
LogP ≤ 59.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162591909) is 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1=CC(NC(=O)c2c(C)nn3ccc(N4CCC[C@@H]4C(F)(F)F)nc23)=CN(c2cc(N3CCC(C(F)(F)F)CC3)nc3c(C(=O)Nc4cnc(N5C=C(C(=O)Nc6cc(-c7cnco7)ccn6)C6=NC(N7CCC(C(F)(F)F)CC7)C=CN65)c(C)c4)cnn23)C1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UACHRUYDAPNJER-LOARSGCDSA-N. The full InChI is InChI=1S/C59H56F9N19O4/c1-32-21-39(74-56(90)49-34(3)79-84-19-11-46(77-53(49)84)83-14-4-5-43(83)59(66,67)68)29-82(28-32)48-24-47(81-17-9-37(10-18-81)58(63,64)65)78-52-40(26-72-87(48)52)54(88)73-38-22-33(2)50(71-25-38)86-30-41(55(89)75-44-23-35(6-13-70-44)42-27-69-31-91-42)51-76-45(12-20-85(51)86)80-15-7-36(8-16-80)57(60,61)62/h6,11-13,19-27,29-31,36-37,43,45H,4-5,7-10,14-18,28H2,1-3H3,(H,73,88)(H,74,90)(H,70,75,89)/t43-,45?/m1/s1.
What are the key properties of 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1266.21 g/mol, XLogP of 9.52, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[3-[[5-methyl-6-[3-[[4-(1,3-oxazol-5-yl)-2-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]-5H-pyrazolo[1,5-a]pyrimidin-1-yl]-3-pyridinyl]carbamoyl]-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).