N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

C19H22N8 — CID 56911177

IUPACN,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C19H22N8/c1-25(10-4-5-14-11-21-26(2)13-14)18-16-12-22-27(3)19(16)24-17(23-18)15-6-8-20-9-7-15/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyNJVIXLJRKDYCQF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.23
Rot. Bonds6

About N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56911177) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56911177
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC NameN,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C19H22N8/c1-25(10-4-5-14-11-21-26(2)13-14)18-16-12-22-27(3)19(16)24-17(23-18)15-6-8-20-9-7-15/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyNJVIXLJRKDYCQF-UHFFFAOYSA-N
XLogP2.23
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56911177) is N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NJVIXLJRKDYCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-25(10-4-5-14-11-21-26(2)13-14)18-16-12-22-27(3)19(16)24-17(23-18)15-6-8-20-9-7-15/h6-9,11-13H,4-5,10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56911177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).