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

C27H22FN7O — CID 136935778

IUPAC2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(-c2cncc(CN3CCCC3)c2)cc2c(-c3nc4c(-c5ccoc5)nccc4[nH]3)[nH]nc12
InChIInChI=1S/C27H22FN7O/c28-21-11-18(19-9-16(12-29-13-19)14-35-6-1-2-7-35)10-20-24(21)33-34-25(20)27-31-22-3-5-30-23(26(22)32-27)17-4-8-36-15-17/h3-5,8-13,15H,1-2,6-7,14H2,(H,31,32)(H,33,34)
InChIKeyOTVMXRZXMNPAMA-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.56
Rot. Bonds5

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

2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136935778) has the molecular formula C27H22FN7O and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136935778
Molecular FormulaC27H22FN7O
Molecular Weight479.52 g/mol
Exact Mass479.19
IUPAC Name2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(-c2cncc(CN3CCCC3)c2)cc2c(-c3nc4c(-c5ccoc5)nccc4[nH]3)[nH]nc12
InChIInChI=1S/C27H22FN7O/c28-21-11-18(19-9-16(12-29-13-19)14-35-6-1-2-7-35)10-20-24(21)33-34-25(20)27-31-22-3-5-30-23(26(22)32-27)17-4-8-36-15-17/h3-5,8-13,15H,1-2,6-7,14H2,(H,31,32)(H,33,34)
InChIKeyOTVMXRZXMNPAMA-UHFFFAOYSA-N
XLogP5.56
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136935778) is 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is Fc1cc(-c2cncc(CN3CCCC3)c2)cc2c(-c3nc4c(-c5ccoc5)nccc4[nH]3)[nH]nc12.
What is the InChIKey of 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is OTVMXRZXMNPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O/c28-21-11-18(19-9-16(12-29-13-19)14-35-6-1-2-7-35)10-20-24(21)33-34-25(20)27-31-22-3-5-30-23(26(22)32-27)17-4-8-36-15-17/h3-5,8-13,15H,1-2,6-7,14H2,(H,31,32)(H,33,34).
What are the key properties of 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 479.52 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136935778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).