3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride

C20H24ClFN6 — CID 164763987

IUPAC3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
SMILESCl.Fc1cccc(Nc2nc(N[C@H]3CCCNC3)cc3c(C4CC4)cnn23)c1
InChIInChI=1S/C20H23FN6.ClH/c21-14-3-1-4-15(9-14)25-20-26-19(24-16-5-2-8-22-11-16)10-18-17(13-6-7-13)12-23-27(18)20;/h1,3-4,9-10,12-13,16,22,24H,2,5-8,11H2,(H,25,26);1H/t16-;/m0./s1
InChIKeyPIMHPZKKVVJLCJ-NTISSMGPSA-N
MW402.91 g/mol
LogP4.08
Rot. Bonds5

About 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride

3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride (PubChem CID 164763987) has the molecular formula C20H24ClFN6 and a molecular weight of 402.91 g/mol. Its IUPAC name is 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
PubChem CID164763987
Molecular FormulaC20H24ClFN6
Molecular Weight402.91 g/mol
Exact Mass402.17
IUPAC Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
SMILESCl.Fc1cccc(Nc2nc(N[C@H]3CCCNC3)cc3c(C4CC4)cnn23)c1
InChIInChI=1S/C20H23FN6.ClH/c21-14-3-1-4-15(9-14)25-20-26-19(24-16-5-2-8-22-11-16)10-18-17(13-6-7-13)12-23-27(18)20;/h1,3-4,9-10,12-13,16,22,24H,2,5-8,11H2,(H,25,26);1H/t16-;/m0./s1
InChIKeyPIMHPZKKVVJLCJ-NTISSMGPSA-N
XLogP4.08
TPSA66.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
CID 164763988
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104155
N-(3-fluorophenyl)-1-[(3S)-piperidin-3-yl]imidazo[1,5-a]pyridin-3-amine
CID 92576988
N-(3-fluorophenyl)-1-piperidin-3-ylimidazo[1,5-a]pyridin-3-amine
CID 46958118
[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
CID 177341055
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
2-N-(3-fluorophenyl)-4-N-[(3S)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155665983
N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride
CID 118741716
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride?
The IUPAC name of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride (CID 164763987) is 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride?
The canonical SMILES for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride is Cl.Fc1cccc(Nc2nc(N[C@H]3CCCNC3)cc3c(C4CC4)cnn23)c1.
What is the InChIKey of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride?
The InChIKey is PIMHPZKKVVJLCJ-NTISSMGPSA-N. The full InChI is InChI=1S/C20H23FN6.ClH/c21-14-3-1-4-15(9-14)25-20-26-19(24-16-5-2-8-22-11-16)10-18-17(13-6-7-13)12-23-27(18)20;/h1,3-4,9-10,12-13,16,22,24H,2,5-8,11H2,(H,25,26);1H/t16-;/m0./s1.
What are the key properties of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride?
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride has a molecular weight of 402.91 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride is sourced from PubChem (CID 164763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).