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

C25H31N7O — CID 138682977

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(C)C)CC1
InChIInChI=1S/C25H31N7O/c1-16(2)24-22(6-5-11-27-24)33-19-9-7-18(8-10-19)32-21-12-23(26-3)28-14-20(21)25(30-32)17-13-29-31(4)15-17/h5-6,11-16,18-19H,7-10H2,1-4H3,(H,26,28)
InChIKeyTWHLSHMBRDHCJD-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.95
Rot. Bonds6

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682977) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682977
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(C)C)CC1
InChIInChI=1S/C25H31N7O/c1-16(2)24-22(6-5-11-27-24)33-19-9-7-18(8-10-19)32-21-12-23(26-3)28-14-20(21)25(30-32)17-13-29-31(4)15-17/h5-6,11-16,18-19H,7-10H2,1-4H3,(H,26,28)
InChIKeyTWHLSHMBRDHCJD-UHFFFAOYSA-N
XLogP4.95
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.95
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-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138682977) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(C)C)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is TWHLSHMBRDHCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-16(2)24-22(6-5-11-27-24)33-19-9-7-18(8-10-19)32-21-12-23(26-3)28-14-20(21)25(30-32)17-13-29-31(4)15-17/h5-6,11-16,18-19H,7-10H2,1-4H3,(H,26,28).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 445.57 g/mol, XLogP of 4.95, 6 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-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).