N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C22H19N7 — CID 155096530

IUPACN,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2ncccc2c1)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C22H19N7/c1-28(14-15-7-8-19-16(11-15)5-4-10-24-19)21-18-13-25-29(2)22(18)27-20(26-21)17-6-3-9-23-12-17/h3-13H,14H2,1-2H3
InChIKeyKVCZMJWCFJCMRB-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.61
Rot. Bonds4

About N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 155096530) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID155096530
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC NameN,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2ncccc2c1)c1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C22H19N7/c1-28(14-15-7-8-19-16(11-15)5-4-10-24-19)21-18-13-25-29(2)22(18)27-20(26-21)17-6-3-9-23-12-17/h3-13H,14H2,1-2H3
InChIKeyKVCZMJWCFJCMRB-UHFFFAOYSA-N
XLogP3.61
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 155096530) is N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1ccc2ncccc2c1)c1nc(-c2cccnc2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KVCZMJWCFJCMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-28(14-15-7-8-19-16(11-15)5-4-10-24-19)21-18-13-25-29(2)22(18)27-20(26-21)17-6-3-9-23-12-17/h3-13H,14H2,1-2H3.
What are the key properties of N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155096530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).