2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

C23H20FN5O3 — CID 121231234

IUPAC2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21
InChIInChI=1S/C23H20FN5O3/c1-14(13-30)29-12-20(19-11-25-5-4-21(19)29)23(32)15-6-18(10-26-8-15)28-22(31)7-17-3-2-16(24)9-27-17/h2-6,8-12,14,30H,7,13H2,1H3,(H,28,31)
InChIKeySYFRPNJQPGCXIP-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.93
Rot. Bonds7

About 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (PubChem CID 121231234) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
PubChem CID121231234
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21
InChIInChI=1S/C23H20FN5O3/c1-14(13-30)29-12-20(19-11-25-5-4-21(19)29)23(32)15-6-18(10-26-8-15)28-22(31)7-17-3-2-16(24)9-27-17/h2-6,8-12,14,30H,7,13H2,1H3,(H,28,31)
InChIKeySYFRPNJQPGCXIP-UHFFFAOYSA-N
XLogP2.93
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (CID 121231234) is 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is SYFRPNJQPGCXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-14(13-30)29-12-20(19-11-25-5-4-21(19)29)23(32)15-6-18(10-26-8-15)28-22(31)7-17-3-2-16(24)9-27-17/h2-6,8-12,14,30H,7,13H2,1H3,(H,28,31).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 433.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 121231234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).