3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

C30H26FN7O — CID 136937134

IUPAC3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c31-22-11-20(12-23(39)14-22)27-29-26(6-7-33-27)34-30(35-29)28-24-13-19(4-5-25(24)36-37-28)21-10-18(15-32-16-21)17-38-8-2-1-3-9-38/h4-7,10-16,39H,1-3,8-9,17H2,(H,34,35)(H,36,37)
InChIKeyKYCMKAMNNFUGTI-UHFFFAOYSA-N
MW519.58 g/mol
LogP6.06
Rot. Bonds5

About 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 136937134) has the molecular formula C30H26FN7O and a molecular weight of 519.58 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID136937134
Molecular FormulaC30H26FN7O
Molecular Weight519.58 g/mol
Exact Mass519.22
IUPAC Name3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c31-22-11-20(12-23(39)14-22)27-29-26(6-7-33-27)34-30(35-29)28-24-13-19(4-5-25(24)36-37-28)21-10-18(15-32-16-21)17-38-8-2-1-3-9-38/h4-7,10-16,39H,1-3,8-9,17H2,(H,34,35)(H,36,37)
InChIKeyKYCMKAMNNFUGTI-UHFFFAOYSA-N
XLogP6.06
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (CID 136937134) is 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is Oc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is KYCMKAMNNFUGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O/c31-22-11-20(12-23(39)14-22)27-29-26(6-7-33-27)34-30(35-29)28-24-13-19(4-5-25(24)36-37-28)21-10-18(15-32-16-21)17-38-8-2-1-3-9-38/h4-7,10-16,39H,1-3,8-9,17H2,(H,34,35)(H,36,37).
What are the key properties of 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 519.58 g/mol, XLogP of 6.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 136937134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).