7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H20ClN7 — CID 155104195

IUPAC7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3cccc(Cl)c3)cc(N[C@H]3CCCNC3)nc12
InChIInChI=1S/C19H20ClN7/c20-15-4-1-3-13(7-15)10-23-18-8-17(25-16-5-2-6-22-12-16)26-19-14(9-21)11-24-27(18)19/h1,3-4,7-8,11,16,22-23H,2,5-6,10,12H2,(H,25,26)/t16-/m0/s1
InChIKeyUCYGVOKPBIKOEV-INIZCTEOSA-N
MW381.87 g/mol
LogP3.03
Rot. Bonds5

About 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 155104195) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID155104195
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3cccc(Cl)c3)cc(N[C@H]3CCCNC3)nc12
InChIInChI=1S/C19H20ClN7/c20-15-4-1-3-13(7-15)10-23-18-8-17(25-16-5-2-6-22-12-16)26-19-14(9-21)11-24-27(18)19/h1,3-4,7-8,11,16,22-23H,2,5-6,10,12H2,(H,25,26)/t16-/m0/s1
InChIKeyUCYGVOKPBIKOEV-INIZCTEOSA-N
XLogP3.03
TPSA90.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166529662
CID 89057786
CID 89057786
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71011382
5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 70793949
5-[(4-aminocyclohexyl)amino]-7-(3-chloro-4-fluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 10250350
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516555

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 155104195) is 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NCc3cccc(Cl)c3)cc(N[C@H]3CCCNC3)nc12.
What is the InChIKey of 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UCYGVOKPBIKOEV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClN7/c20-15-4-1-3-13(7-15)10-23-18-8-17(25-16-5-2-6-22-12-16)26-19-14(9-21)11-24-27(18)19/h1,3-4,7-8,11,16,22-23H,2,5-6,10,12H2,(H,25,26)/t16-/m0/s1.
What are the key properties of 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 381.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 155104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).