[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C24H27N7O — CID 118685007

IUPAC[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCn1nc2c(c1Nc1cccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)n1)CCCC2
InChIInChI=1S/C24H27N7O/c1-3-31-24(17-7-4-5-8-18(17)29-31)28-23-10-6-9-19(27-23)20-11-12-22(21(14-32)26-20)30-13-16(2)25-15-30/h6,9-13,15,32H,3-5,7-8,14H2,1-2H3,(H,27,28)
InChIKeyFZIYTONOCLSASI-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.97
Rot. Bonds6

About [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 118685007) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID118685007
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCn1nc2c(c1Nc1cccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)n1)CCCC2
InChIInChI=1S/C24H27N7O/c1-3-31-24(17-7-4-5-8-18(17)29-31)28-23-10-6-9-19(27-23)20-11-12-22(21(14-32)26-20)30-13-16(2)25-15-30/h6,9-13,15,32H,3-5,7-8,14H2,1-2H3,(H,27,28)
InChIKeyFZIYTONOCLSASI-UHFFFAOYSA-N
XLogP3.97
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 118685007) is [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is CCn1nc2c(c1Nc1cccc(-c3ccc(-n4cnc(C)c4)c(CO)n3)n1)CCCC2.
What is the InChIKey of [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is FZIYTONOCLSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-31-24(17-7-4-5-8-18(17)29-31)28-23-10-6-9-19(27-23)20-11-12-22(21(14-32)26-20)30-13-16(2)25-15-30/h6,9-13,15,32H,3-5,7-8,14H2,1-2H3,(H,27,28).
What are the key properties of [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 429.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 118685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).