N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C25H28N8O — CID 138715018

IUPACN-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C25H28N8O/c1-3-26-24-11-23-21(14-27-24)25(17-13-29-32(2)15-17)31-33(23)18-4-6-19(7-5-18)34-20-8-9-22-16(10-20)12-28-30-22/h8-15,18-19H,3-7H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyPPUAUWVICIBUPX-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.70
Rot. Bonds6

About N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715018) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715018
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC NameN-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C25H28N8O/c1-3-26-24-11-23-21(14-27-24)25(17-13-29-32(2)15-17)31-33(23)18-4-6-19(7-5-18)34-20-8-9-22-16(10-20)12-28-30-22/h8-15,18-19H,3-7H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyPPUAUWVICIBUPX-UHFFFAOYSA-N
XLogP4.70
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715018) is N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is PPUAUWVICIBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-3-26-24-11-23-21(14-27-24)25(17-13-29-32(2)15-17)31-33(23)18-4-6-19(7-5-18)34-20-8-9-22-16(10-20)12-28-30-22/h8-15,18-19H,3-7H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 456.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(1H-indazol-5-yloxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).