4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C30H26FN7O — CID 136938454

IUPAC4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c1-39-23-12-20(11-22(31)14-23)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)17-38-8-2-3-9-38/h4-7,10-16H,2-3,8-9,17H2,1H3,(H,34,35)(H,36,37)
InChIKeyGFAPMXPHNCRCKN-UHFFFAOYSA-N
MW519.58 g/mol
LogP5.97
Rot. Bonds6

About 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136938454) has the molecular formula C30H26FN7O and a molecular weight of 519.58 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136938454
Molecular FormulaC30H26FN7O
Molecular Weight519.58 g/mol
Exact Mass519.22
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c1-39-23-12-20(11-22(31)14-23)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)17-38-8-2-3-9-38/h4-7,10-16H,2-3,8-9,17H2,1H3,(H,34,35)(H,36,37)
InChIKeyGFAPMXPHNCRCKN-UHFFFAOYSA-N
XLogP5.97
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136938454) is 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is GFAPMXPHNCRCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O/c1-39-23-12-20(11-22(31)14-23)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)17-38-8-2-3-9-38/h4-7,10-16H,2-3,8-9,17H2,1H3,(H,34,35)(H,36,37).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 519.58 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).