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

C29H31N7O2 — CID 138682950

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OCc3ccccc3)nc2)CC1
InChIInChI=1S/C29H31N7O2/c1-30-27-14-26-25(17-31-27)29(21-15-33-35(2)18-21)34-36(26)22-8-10-23(11-9-22)38-24-12-13-28(32-16-24)37-19-20-6-4-3-5-7-20/h3-7,12-18,22-23H,8-11,19H2,1-2H3,(H,30,31)
InChIKeyUBRFJUHJYBVBTP-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.41
Rot. Bonds8

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682950) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682950
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OCc3ccccc3)nc2)CC1
InChIInChI=1S/C29H31N7O2/c1-30-27-14-26-25(17-31-27)29(21-15-33-35(2)18-21)34-36(26)22-8-10-23(11-9-22)38-24-12-13-28(32-16-24)37-19-20-6-4-3-5-7-20/h3-7,12-18,22-23H,8-11,19H2,1-2H3,(H,30,31)
InChIKeyUBRFJUHJYBVBTP-UHFFFAOYSA-N
XLogP5.41
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138682950) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-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-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OCc3ccccc3)nc2)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is UBRFJUHJYBVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-30-27-14-26-25(17-31-27)29(21-15-33-35(2)18-21)34-36(26)22-8-10-23(11-9-22)38-24-12-13-28(32-16-24)37-19-20-6-4-3-5-7-20/h3-7,12-18,22-23H,8-11,19H2,1-2H3,(H,30,31).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 509.61 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(6-phenylmethoxy-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).