1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol

C29H24FN7O — CID 136643202

IUPAC1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C29H24FN7O/c30-20-3-1-2-18(10-20)24-15-32-16-26-27(24)34-29(33-26)28-23-12-17(4-5-25(23)35-36-28)19-11-21(14-31-13-19)37-8-6-22(38)7-9-37/h1-5,10-16,22,38H,6-9H2,(H,33,34)(H,35,36)
InChIKeyVJZNAMFHFBZVFL-UHFFFAOYSA-N
MW505.56 g/mol
LogP5.33
Rot. Bonds4

About 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol

1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol (PubChem CID 136643202) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol
PubChem CID136643202
Molecular FormulaC29H24FN7O
Molecular Weight505.56 g/mol
Exact Mass505.20
IUPAC Name1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C29H24FN7O/c30-20-3-1-2-18(10-20)24-15-32-16-26-27(24)34-29(33-26)28-23-12-17(4-5-25(23)35-36-28)19-11-21(14-31-13-19)37-8-6-22(38)7-9-37/h1-5,10-16,22,38H,6-9H2,(H,33,34)(H,35,36)
InChIKeyVJZNAMFHFBZVFL-UHFFFAOYSA-N
XLogP5.33
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol (CID 136643202) is 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol is OC1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1.
What is the InChIKey of 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol?
The InChIKey is VJZNAMFHFBZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-20-3-1-2-18(10-20)24-15-32-16-26-27(24)34-29(33-26)28-23-12-17(4-5-25(23)35-36-28)19-11-21(14-31-13-19)37-8-6-22(38)7-9-37/h1-5,10-16,22,38H,6-9H2,(H,33,34)(H,35,36).
What are the key properties of 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol?
1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol has a molecular weight of 505.56 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 136643202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).