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

C23H29ClN8O3 — CID 166633956

IUPACN-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H28N8O3.ClH/c24-21(32)17-12-16(30-8-10-34-11-9-30)3-4-19(17)28-23(33)18-14-26-31-7-5-20(29-22(18)31)27-15-2-1-6-25-13-15;/h3-5,7,12,14-15,25H,1-2,6,8-11,13H2,(H2,24,32)(H,27,29)(H,28,33);1H/t15-;/m1./s1
InChIKeyGXGRGBGFWFTEBE-XFULWGLBSA-N
MW500.99 g/mol
LogP1.50
Rot. Bonds6

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

N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 166633956) has the molecular formula C23H29ClN8O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID166633956
Molecular FormulaC23H29ClN8O3
Molecular Weight500.99 g/mol
Exact Mass500.21
IUPAC NameN-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H28N8O3.ClH/c24-21(32)17-12-16(30-8-10-34-11-9-30)3-4-19(17)28-23(33)18-14-26-31-7-5-20(29-22(18)31)27-15-2-1-6-25-13-15;/h3-5,7,12,14-15,25H,1-2,6,8-11,13H2,(H2,24,32)(H,27,29)(H,28,33);1H/t15-;/m1./s1
InChIKeyGXGRGBGFWFTEBE-XFULWGLBSA-N
XLogP1.50
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 166633956) is N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is GXGRGBGFWFTEBE-XFULWGLBSA-N. The full InChI is InChI=1S/C23H28N8O3.ClH/c24-21(32)17-12-16(30-8-10-34-11-9-30)3-4-19(17)28-23(33)18-14-26-31-7-5-20(29-22(18)31)27-15-2-1-6-25-13-15;/h3-5,7,12,14-15,25H,1-2,6,8-11,13H2,(H2,24,32)(H,27,29)(H,28,33);1H/t15-;/m1./s1.
What are the key properties of N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 500.99 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 166633956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).