N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C81H81Cl3F6N24O12 — CID 157344870

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/3C27H27ClF2N8O4/c3*28-17-2-3-22(42-27(29)30)18(14-17)23-20(33-25(39)19-15-32-37-6-1-5-31-24(19)37)16-38(34-23)21-4-7-36(26(21)40)9-8-35-10-12-41-13-11-35/h3*1-3,5-6,14-16,21,27H,4,7-13H2,(H,33,39)/t2*21-;/m10./s1
InChIKeyBGVJDPXWCXMUNO-ZACMMHJFSA-N
MW1803.04 g/mol
LogP9.62
Rot. Bonds27

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157344870) has the molecular formula C81H81Cl3F6N24O12 and a molecular weight of 1803.04 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157344870
Molecular FormulaC81H81Cl3F6N24O12
Molecular Weight1803.04 g/mol
Exact Mass1800.54
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/3C27H27ClF2N8O4/c3*28-17-2-3-22(42-27(29)30)18(14-17)23-20(33-25(39)19-15-32-37-6-1-5-31-24(19)37)16-38(34-23)21-4-7-36(26(21)40)9-8-35-10-12-41-13-11-35/h3*1-3,5-6,14-16,21,27H,4,7-13H2,(H,33,39)/t2*21-;/m10./s1
InChIKeyBGVJDPXWCXMUNO-ZACMMHJFSA-N
XLogP9.62
TPSA357.36 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001803.04
LogP ≤ 59.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522534
Gdc-4379
CID 135378781
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496162
2-amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [3-(5-chloro-2-difluoromethoxy-phenyl)-1-piperidin-4-yl-1H-pyrazol-4-yl]-amide
CID 92136008
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522313
N-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522314
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522315
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522317
N-[1-[2-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522318
N-[1-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522321
N-[1-[2-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522323
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522329

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157344870) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCN(CCN3CCOCC3)C2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BGVJDPXWCXMUNO-ZACMMHJFSA-N. The full InChI is InChI=1S/3C27H27ClF2N8O4/c3*28-17-2-3-22(42-27(29)30)18(14-17)23-20(33-25(39)19-15-32-37-6-1-5-31-24(19)37)16-38(34-23)21-4-7-36(26(21)40)9-8-35-10-12-41-13-11-35/h3*1-3,5-6,14-16,21,27H,4,7-13H2,(H,33,39)/t2*21-;/m10./s1.
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1803.04 g/mol, XLogP of 9.62, 27 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157344870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).