7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine

C28H24FN7S — CID 136600722

IUPAC7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7S/c29-25-7-6-24(37-25)21-14-31-15-23-26(21)33-28(32-23)27-20-11-18(4-5-22(20)34-35-27)19-10-17(12-30-13-19)16-36-8-2-1-3-9-36/h4-7,10-15H,1-3,8-9,16H2,(H,32,33)(H,34,35)
InChIKeyIOJHUYVQNFGSJR-UHFFFAOYSA-N
MW509.61 g/mol
LogP6.42
Rot. Bonds5

About 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine

7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136600722) has the molecular formula C28H24FN7S and a molecular weight of 509.61 g/mol. Its IUPAC name is 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID136600722
Molecular FormulaC28H24FN7S
Molecular Weight509.61 g/mol
Exact Mass509.18
IUPAC Name7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7S/c29-25-7-6-24(37-25)21-14-31-15-23-26(21)33-28(32-23)27-20-11-18(4-5-22(20)34-35-27)19-10-17(12-30-13-19)16-36-8-2-1-3-9-36/h4-7,10-15H,1-3,8-9,16H2,(H,32,33)(H,34,35)
InChIKeyIOJHUYVQNFGSJR-UHFFFAOYSA-N
XLogP6.42
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 136600722) is 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is IOJHUYVQNFGSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7S/c29-25-7-6-24(37-25)21-14-31-15-23-26(21)33-28(32-23)27-20-11-18(4-5-22(20)34-35-27)19-10-17(12-30-13-19)16-36-8-2-1-3-9-36/h4-7,10-15H,1-3,8-9,16H2,(H,32,33)(H,34,35).
What are the key properties of 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?
7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 509.61 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorothiophen-2-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136600722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).