N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C23H26F2N6O2 — CID 167224778

About N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167224778) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 167224778
• Molecular Formula: C23H26F2N6O2
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.21
• IUPAC Name: N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CCn1ccc2cc(C(=O)N[C@H]3COc4nc(N5CC(C(F)F)[C@@H](N)C5)ccc4C3)cnc21
• InChI: InChI=1S/C23H26F2N6O2/c1-2-30-6-5-13-7-15(9-27-21(13)30)22(32)28-16-8-14-3-4-19(29-23(14)33-12-16)31-10-17(20(24)25)18(26)11-31/h3-7,9,16-18,20H,2,8,10-12,26H2,1H3,(H,28,32)/t16-,17?,18+/m1/s1
• InChIKey: DWXRNGZASRBOCX-BLAYRMRBSA-N
• XLogP: 2.21
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167224778) is N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3COc4nc(N5CC(C(F)F)[C@@H](N)C5)ccc4C3)cnc21.

What is the InChIKey of N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is DWXRNGZASRBOCX-BLAYRMRBSA-N. The full InChI is InChI=1S/C23H26F2N6O2/c1-2-30-6-5-13-7-15(9-27-21(13)30)22(32)28-16-8-14-3-4-19(29-23(14)33-12-16)31-10-17(20(24)25)18(26)11-31/h3-7,9,16-18,20H,2,8,10-12,26H2,1H3,(H,28,32)/t16-,17?,18+/m1/s1.

What are the key properties of N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167224778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).