[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C28H27N5O2 — CID 156811314

IUPAC[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cn2cc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc3n2)cc1
InChIInChI=1S/C28H27N5O2/c1-35-25-8-5-20(6-9-25)18-32-19-23-16-24(7-10-26(23)30-32)33-14-11-21-15-22(17-29-27(21)33)28(34)31-12-3-2-4-13-31/h5-11,14-17,19H,2-4,12-13,18H2,1H3
InChIKeyZKUSUCIARMQQME-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.06
Rot. Bonds5

About [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811314) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811314
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cn2cc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc3n2)cc1
InChIInChI=1S/C28H27N5O2/c1-35-25-8-5-20(6-9-25)18-32-19-23-16-24(7-10-26(23)30-32)33-14-11-21-15-22(17-29-27(21)33)28(34)31-12-3-2-4-13-31/h5-11,14-17,19H,2-4,12-13,18H2,1H3
InChIKeyZKUSUCIARMQQME-UHFFFAOYSA-N
XLogP5.06
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811314) is [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is COc1ccc(Cn2cc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc3n2)cc1.
What is the InChIKey of [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ZKUSUCIARMQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-35-25-8-5-20(6-9-25)18-32-19-23-16-24(7-10-26(23)30-32)33-14-11-21-15-22(17-29-27(21)33)28(34)31-12-3-2-4-13-31/h5-11,14-17,19H,2-4,12-13,18H2,1H3.
What are the key properties of [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 465.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).