[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone

C21H19FN4O — CID 162748964

IUPAC[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(c2c(F)cnc3[nH]ccc23)CC1
InChIInChI=1S/C21H19FN4O/c22-17-12-25-20-16(4-8-24-20)19(17)14-5-9-26(10-6-14)21(27)15-2-1-13-3-7-23-18(13)11-15/h1-4,7-8,11-12,14,23H,5-6,9-10H2,(H,24,25)
InChIKeyLZADDEKWDQRBMC-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.20
Rot. Bonds2

About [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 162748964) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID162748964
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(c2c(F)cnc3[nH]ccc23)CC1
InChIInChI=1S/C21H19FN4O/c22-17-12-25-20-16(4-8-24-20)19(17)14-5-9-26(10-6-14)21(27)15-2-1-13-3-7-23-18(13)11-15/h1-4,7-8,11-12,14,23H,5-6,9-10H2,(H,24,25)
InChIKeyLZADDEKWDQRBMC-UHFFFAOYSA-N
XLogP4.20
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone (CID 162748964) is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCC(c2c(F)cnc3[nH]ccc23)CC1.
What is the InChIKey of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is LZADDEKWDQRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-12-25-20-16(4-8-24-20)19(17)14-5-9-26(10-6-14)21(27)15-2-1-13-3-7-23-18(13)11-15/h1-4,7-8,11-12,14,23H,5-6,9-10H2,(H,24,25).
What are the key properties of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone?
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 362.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 162748964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).