5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide

C24H27F2N5O2 — CID 156810938

IUPAC5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1
InChIInChI=1S/C24H27F2N5O2/c1-3-18(4-2)29-22(32)20-6-5-19(15-27-20)31-10-7-16-13-17(14-28-21(16)31)23(33)30-11-8-24(25,26)9-12-30/h5-7,10,13-15,18H,3-4,8-9,11-12H2,1-2H3,(H,29,32)
InChIKeyKOKINQSBUSAWGW-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.21
Rot. Bonds6

About 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide

5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide (PubChem CID 156810938) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide
PubChem CID156810938
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1
InChIInChI=1S/C24H27F2N5O2/c1-3-18(4-2)29-22(32)20-6-5-19(15-27-20)31-10-7-16-13-17(14-28-21(16)31)23(33)30-11-8-24(25,26)9-12-30/h5-7,10,13-15,18H,3-4,8-9,11-12H2,1-2H3,(H,29,32)
InChIKeyKOKINQSBUSAWGW-UHFFFAOYSA-N
XLogP4.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide (CID 156810938) is 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide is CCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.
What is the InChIKey of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide?
The InChIKey is KOKINQSBUSAWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-3-18(4-2)29-22(32)20-6-5-19(15-27-20)31-10-7-16-13-17(14-28-21(16)31)23(33)30-11-8-24(25,26)9-12-30/h5-7,10,13-15,18H,3-4,8-9,11-12H2,1-2H3,(H,29,32).
What are the key properties of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide?
5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 156810938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).