N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

C26H27N7O — CID 138715669

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3cccnc3c2)CC1
InChIInChI=1S/C26H27N7O/c1-27-25-13-24-22(15-29-25)26(18-14-30-32(2)16-18)31-33(24)19-6-9-20(10-7-19)34-21-8-5-17-4-3-11-28-23(17)12-21/h3-5,8,11-16,19-20H,6-7,9-10H2,1-2H3,(H,27,29)
InChIKeyFYRDJBHIWMIOQS-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.98
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715669) 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-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715669
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3cccnc3c2)CC1
InChIInChI=1S/C26H27N7O/c1-27-25-13-24-22(15-29-25)26(18-14-30-32(2)16-18)31-33(24)19-6-9-20(10-7-19)34-21-8-5-17-4-3-11-28-23(17)12-21/h3-5,8,11-16,19-20H,6-7,9-10H2,1-2H3,(H,27,29)
InChIKeyFYRDJBHIWMIOQS-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-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715669) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3cccnc3c2)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is FYRDJBHIWMIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-27-25-13-24-22(15-29-25)26(18-14-30-32(2)16-18)31-33(24)19-6-9-20(10-7-19)34-21-8-5-17-4-3-11-28-23(17)12-21/h3-5,8,11-16,19-20H,6-7,9-10H2,1-2H3,(H,27,29).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-quinolin-7-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-7-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).