4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one

C23H25N5O2 — CID 138686315

IUPAC4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H25N5O2/c1-13(2)20-21(15-10-19(30-3)23-24-12-25-28(23)11-15)27-18-9-8-17(26-22(18)20)14-4-6-16(29)7-5-14/h8-14,27H,4-7H2,1-3H3
InChIKeyKLSBWEBKVDQBRD-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.63
Rot. Bonds4

About 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one

4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one (PubChem CID 138686315) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one
PubChem CID138686315
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H25N5O2/c1-13(2)20-21(15-10-19(30-3)23-24-12-25-28(23)11-15)27-18-9-8-17(26-22(18)20)14-4-6-16(29)7-5-14/h8-14,27H,4-7H2,1-3H3
InChIKeyKLSBWEBKVDQBRD-UHFFFAOYSA-N
XLogP4.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one (CID 138686315) is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one is COc1cc(-c2[nH]c3ccc(C4CCC(=O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one?
The InChIKey is KLSBWEBKVDQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13(2)20-21(15-10-19(30-3)23-24-12-25-28(23)11-15)27-18-9-8-17(26-22(18)20)14-4-6-16(29)7-5-14/h8-14,27H,4-7H2,1-3H3.
What are the key properties of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one?
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one has a molecular weight of 403.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-one is sourced from PubChem (CID 138686315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).