N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

C26H27N7O — CID 138715491

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncccc23)CC1
InChIInChI=1S/C26H27N7O/c1-27-25-13-23-21(15-29-25)26(17-14-30-32(2)16-17)31-33(23)18-8-10-19(11-9-18)34-24-7-3-6-22-20(24)5-4-12-28-22/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,29)
InChIKeyGMZFURSHMBRWCE-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.98
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715491) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715491
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncccc23)CC1
InChIInChI=1S/C26H27N7O/c1-27-25-13-23-21(15-29-25)26(17-14-30-32(2)16-17)31-33(23)18-8-10-19(11-9-18)34-24-7-3-6-22-20(24)5-4-12-28-22/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,29)
InChIKeyGMZFURSHMBRWCE-UHFFFAOYSA-N
XLogP4.98
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715491) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncccc23)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is GMZFURSHMBRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-27-25-13-23-21(15-29-25)26(17-14-30-32(2)16-17)31-33(23)18-8-10-19(11-9-18)34-24-7-3-6-22-20(24)5-4-12-28-22/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,29).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 453.55 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-5-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).