6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide

C32H34F3N5O5 — CID 166820385

IUPAC6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccc(F)cn2)n1
InChIInChI=1S/C32H34F3N5O5/c1-19(41)40-16-22(21-8-11-28(45-32(34)35)29(13-21)44-18-20-6-7-20)12-27(40)30(42)37-15-24-4-3-5-26(38-24)31(43)39(2)17-25-10-9-23(33)14-36-25/h3-5,8-11,13-14,20,22,27,32H,6-7,12,15-18H2,1-2H3,(H,37,42)/t22?,27-/m1/s1
InChIKeyQCOLZRPDHUQWCC-RZIURPKCSA-N
MW625.65 g/mol
LogP4.30
Rot. Bonds12

About 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide

6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 166820385) has the molecular formula C32H34F3N5O5 and a molecular weight of 625.65 g/mol. Its IUPAC name is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID166820385
Molecular FormulaC32H34F3N5O5
Molecular Weight625.65 g/mol
Exact Mass625.25
IUPAC Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccc(F)cn2)n1
InChIInChI=1S/C32H34F3N5O5/c1-19(41)40-16-22(21-8-11-28(45-32(34)35)29(13-21)44-18-20-6-7-20)12-27(40)30(42)37-15-24-4-3-5-26(38-24)31(43)39(2)17-25-10-9-23(33)14-36-25/h3-5,8-11,13-14,20,22,27,32H,6-7,12,15-18H2,1-2H3,(H,37,42)/t22?,27-/m1/s1
InChIKeyQCOLZRPDHUQWCC-RZIURPKCSA-N
XLogP4.30
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide (CID 166820385) is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide is CC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccc(F)cn2)n1.
What is the InChIKey of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is QCOLZRPDHUQWCC-RZIURPKCSA-N. The full InChI is InChI=1S/C32H34F3N5O5/c1-19(41)40-16-22(21-8-11-28(45-32(34)35)29(13-21)44-18-20-6-7-20)12-27(40)30(42)37-15-24-4-3-5-26(38-24)31(43)39(2)17-25-10-9-23(33)14-36-25/h3-5,8-11,13-14,20,22,27,32H,6-7,12,15-18H2,1-2H3,(H,37,42)/t22?,27-/m1/s1.
What are the key properties of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide?
6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 625.65 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166820385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).