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

C22H25N7O — CID 138682877

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C22H25N7O/c1-23-21-10-20-19(13-25-21)22(15-11-26-28(2)14-15)27-29(20)16-5-7-17(8-6-16)30-18-4-3-9-24-12-18/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,23,25)
InChIKeyNFFHPPZZFWJGSH-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.83
Rot. Bonds5

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682877) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682877
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C22H25N7O/c1-23-21-10-20-19(13-25-21)22(15-11-26-28(2)14-15)27-29(20)16-5-7-17(8-6-16)30-18-4-3-9-24-12-18/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,23,25)
InChIKeyNFFHPPZZFWJGSH-UHFFFAOYSA-N
XLogP3.83
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.83
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-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682877) is N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is NFFHPPZZFWJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-23-21-10-20-19(13-25-21)22(15-11-26-28(2)14-15)27-29(20)16-5-7-17(8-6-16)30-18-4-3-9-24-12-18/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,23,25).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 403.49 g/mol, XLogP of 3.83, 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-pyridin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).