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

C21H25FN6 — CID 155104155

IUPAC3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESFc1cccc(Nc2cc(NC[C@H]3CCCNC3)nc3c(C4CC4)cnn23)c1
InChIInChI=1S/C21H25FN6/c22-16-4-1-5-17(9-16)26-20-10-19(24-12-14-3-2-8-23-11-14)27-21-18(15-6-7-15)13-25-28(20)21/h1,4-5,9-10,13-15,23,26H,2-3,6-8,11-12H2,(H,24,27)/t14-/m0/s1
InChIKeyGJAPQQKMQRWQPH-AWEZNQCLSA-N
MW380.47 g/mol
LogP3.90
Rot. Bonds6

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

3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 155104155) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID155104155
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESFc1cccc(Nc2cc(NC[C@H]3CCCNC3)nc3c(C4CC4)cnn23)c1
InChIInChI=1S/C21H25FN6/c22-16-4-1-5-17(9-16)26-20-10-19(24-12-14-3-2-8-23-11-14)27-21-18(15-6-7-15)13-25-28(20)21/h1,4-5,9-10,13-15,23,26H,2-3,6-8,11-12H2,(H,24,27)/t14-/m0/s1
InChIKeyGJAPQQKMQRWQPH-AWEZNQCLSA-N
XLogP3.90
TPSA66.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclobutyl-7-N-(3-fluoro-5-methylphenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104200
[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
CID 177341055
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
3-[[3-cyclopropyl-5-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-fluorobenzonitrile
CID 155104333
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
3-[[3-cyclopropyl-5-[(1-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzonitrile
CID 155104170
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]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
CID 164763987
(3S,4S)-4-[[[3-cyclobutyl-7-[3-[(3S,4S)-4-[[[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]oxan-3-yl]oxy-5-fluoroanilino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]oxan-3-ol
CID 155121444
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-[[3-cyclopropyl-5-[(3-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-methylbenzonitrile
CID 155104291
3-cyclobutyl-N-(3-fluoro-5-methylphenyl)-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
CID 155104215

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 155104155) is 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is Fc1cccc(Nc2cc(NC[C@H]3CCCNC3)nc3c(C4CC4)cnn23)c1.
What is the InChIKey of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is GJAPQQKMQRWQPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25FN6/c22-16-4-1-5-17(9-16)26-20-10-19(24-12-14-3-2-8-23-11-14)27-21-18(15-6-7-15)13-25-28(20)21/h1,4-5,9-10,13-15,23,26H,2-3,6-8,11-12H2,(H,24,27)/t14-/m0/s1.
What are the key properties of 3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 380.47 g/mol, XLogP of 3.90, 6 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]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 155104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).