N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C24H29N7O — CID 162773722

IUPACN-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1ccc(OC2CCC(Nc3cc4c(cn3)c(-c3cnn(C)c3)nn4C)CC2)c(C)n1
InChIInChI=1S/C24H29N7O/c1-15-5-10-22(16(2)27-15)32-19-8-6-18(7-9-19)28-23-11-21-20(13-25-23)24(29-31(21)4)17-12-26-30(3)14-17/h5,10-14,18-19H,6-9H2,1-4H3,(H,25,28)
InChIKeyLBDQEGGHVQRWSS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.18
Rot. Bonds5

About N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 162773722) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID162773722
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1ccc(OC2CCC(Nc3cc4c(cn3)c(-c3cnn(C)c3)nn4C)CC2)c(C)n1
InChIInChI=1S/C24H29N7O/c1-15-5-10-22(16(2)27-15)32-19-8-6-18(7-9-19)28-23-11-21-20(13-25-23)24(29-31(21)4)17-12-26-30(3)14-17/h5,10-14,18-19H,6-9H2,1-4H3,(H,25,28)
InChIKeyLBDQEGGHVQRWSS-UHFFFAOYSA-N
XLogP4.18
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 162773722) is N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is Cc1ccc(OC2CCC(Nc3cc4c(cn3)c(-c3cnn(C)c3)nn4C)CC2)c(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is LBDQEGGHVQRWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15-5-10-22(16(2)27-15)32-19-8-6-18(7-9-19)28-23-11-21-20(13-25-23)24(29-31(21)4)17-12-26-30(3)14-17/h5,10-14,18-19H,6-9H2,1-4H3,(H,25,28).
What are the key properties of N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 431.54 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 162773722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).