N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26ClN7O2 — CID 163408822

IUPACN-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1Cl)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C22H26ClN7O2/c23-18-12-16(29-8-10-32-11-9-29)3-4-19(18)27-22(31)17-14-25-30-7-5-20(28-21(17)30)26-15-2-1-6-24-13-15/h3-5,7,12,14-15,24H,1-2,6,8-11,13H2,(H,26,28)(H,27,31)/t15-/m1/s1
InChIKeyPCGXWBCXAWPIRK-OAHLLOKOSA-N
MW455.95 g/mol
LogP2.64
Rot. Bonds5

About N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163408822) has the molecular formula C22H26ClN7O2 and a molecular weight of 455.95 g/mol. Its IUPAC name is N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163408822
Molecular FormulaC22H26ClN7O2
Molecular Weight455.95 g/mol
Exact Mass455.18
IUPAC NameN-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1Cl)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C22H26ClN7O2/c23-18-12-16(29-8-10-32-11-9-29)3-4-19(18)27-22(31)17-14-25-30-7-5-20(28-21(17)30)26-15-2-1-6-24-13-15/h3-5,7,12,14-15,24H,1-2,6,8-11,13H2,(H,26,28)(H,27,31)/t15-/m1/s1
InChIKeyPCGXWBCXAWPIRK-OAHLLOKOSA-N
XLogP2.64
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163408822) is N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1Cl)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PCGXWBCXAWPIRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26ClN7O2/c23-18-12-16(29-8-10-32-11-9-29)3-4-19(18)27-22(31)17-14-25-30-7-5-20(28-21(17)30)26-15-2-1-6-24-13-15/h3-5,7,12,14-15,24H,1-2,6,8-11,13H2,(H,26,28)(H,27,31)/t15-/m1/s1.
What are the key properties of N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163408822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).