N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

C19H22N6 — CID 127616498

IUPACN-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESc1ccc(-n2ncc3c(N4CCC(NC5CC5)CC4)ncnc32)cc1
InChIInChI=1S/C19H22N6/c1-2-4-16(5-3-1)25-19-17(12-22-25)18(20-13-21-19)24-10-8-15(9-11-24)23-14-6-7-14/h1-5,12-15,23H,6-11H2
InChIKeySQEXBTNPMAQNDV-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.54
Rot. Bonds4

About N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 127616498) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID127616498
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESc1ccc(-n2ncc3c(N4CCC(NC5CC5)CC4)ncnc32)cc1
InChIInChI=1S/C19H22N6/c1-2-4-16(5-3-1)25-19-17(12-22-25)18(20-13-21-19)24-10-8-15(9-11-24)23-14-6-7-14/h1-5,12-15,23H,6-11H2
InChIKeySQEXBTNPMAQNDV-UHFFFAOYSA-N
XLogP2.54
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 7205389
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (CID 127616498) is N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is c1ccc(-n2ncc3c(N4CCC(NC5CC5)CC4)ncnc32)cc1.
What is the InChIKey of N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is SQEXBTNPMAQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-4-16(5-3-1)25-19-17(12-22-25)18(20-13-21-19)24-10-8-15(9-11-24)23-14-6-7-14/h1-5,12-15,23H,6-11H2.
What are the key properties of N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 127616498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).