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

C21H29N7 — CID 56909510

IUPACN-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCCN1CCCCCC1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C21H29N7/c1-26(12-7-15-28-13-5-3-4-6-14-28)20-18-16-23-27(2)21(18)25-19(24-20)17-8-10-22-11-9-17/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyPWPZIUZSWHWPDV-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.13
Rot. Bonds6

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

N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56909510) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56909510
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC NameN-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCCN1CCCCCC1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C21H29N7/c1-26(12-7-15-28-13-5-3-4-6-14-28)20-18-16-23-27(2)21(18)25-19(24-20)17-8-10-22-11-9-17/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyPWPZIUZSWHWPDV-UHFFFAOYSA-N
XLogP3.13
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56909510) is N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is CN(CCCN1CCCCCC1)c1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PWPZIUZSWHWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-26(12-7-15-28-13-5-3-4-6-14-28)20-18-16-23-27(2)21(18)25-19(24-20)17-8-10-22-11-9-17/h8-11,16H,3-7,12-15H2,1-2H3.
What are the key properties of N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 379.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56909510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).