N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C19H22F2N4O2 — CID 176994015

About N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 176994015) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 176994015
• Molecular Formula: C19H22F2N4O2
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.17
• IUPAC Name: N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc2cc(C(F)F)ncc2[nH]1)C(=O)N1CCC2(CC1)CC2
• InChI: InChI=1S/C19H22F2N4O2/c1-11(18(27)25-6-4-19(2-3-19)5-7-25)23-17(26)14-9-12-8-13(16(20)21)22-10-15(12)24-14/h8-11,16,24H,2-7H2,1H3,(H,23,26)/t11-/m1/s1
• InChIKey: YDPJSWZBMDWONE-LLVKDONJSA-N
• XLogP: 3.02
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 176994015) is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(C(F)F)ncc2[nH]1)C(=O)N1CCC2(CC1)CC2.

What is the InChIKey of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is YDPJSWZBMDWONE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-11(18(27)25-6-4-19(2-3-19)5-7-25)23-17(26)14-9-12-8-13(16(20)21)22-10-15(12)24-14/h8-11,16,24H,2-7H2,1H3,(H,23,26)/t11-/m1/s1.

What are the key properties of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 176994015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).