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

C20H23FN6 — CID 164763988

IUPAC3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
SMILESFc1cccc(Nc2nc(N[C@H]3CCCNC3)cc3c(C4CC4)cnn23)c1
InChIInChI=1S/C20H23FN6/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)/t16-/m0/s1
InChIKeyNSEDNCMPCKVUOY-INIZCTEOSA-N
MW366.44 g/mol
LogP3.65
Rot. Bonds5

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

3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 164763988) has the molecular formula C20H23FN6 and a molecular weight of 366.44 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.

Molecular Properties

Compound Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID164763988
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
SMILESFc1cccc(Nc2nc(N[C@H]3CCCNC3)cc3c(C4CC4)cnn23)c1
InChIInChI=1S/C20H23FN6/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)/t16-/m0/s1
InChIKeyNSEDNCMPCKVUOY-INIZCTEOSA-N
XLogP3.65
TPSA66.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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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;hydrochloride
CID 164763987
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
2-N-(3-fluorophenyl)-4-N-[(3S)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155665983
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride
CID 118741716
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?
The IUPAC name of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine (CID 164763988) is 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine.
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?
The canonical SMILES for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine is 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?
The InChIKey is NSEDNCMPCKVUOY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN6/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)/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?
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 366.44 g/mol, XLogP of 3.65, 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 is sourced from PubChem (CID 164763988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).