1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C30H36F2N4O5 — CID 144791545

IUPAC1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOCC(F)(F)C(=O)N1CCC(C2(n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C30H36F2N4O5/c1-18-15-24(41-4)22(26(37)34-18)16-33-27(38)25-19(2)36(23-8-6-5-7-21(23)25)29(11-12-29)20-9-13-35(14-10-20)28(39)30(31,32)17-40-3/h5-8,15,20H,9-14,16-17H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyUJPJVULSKNKPNV-UHFFFAOYSA-N
MW570.64 g/mol
LogP3.89
Rot. Bonds9

About 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791545) has the molecular formula C30H36F2N4O5 and a molecular weight of 570.64 g/mol. Its IUPAC name is 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID144791545
Molecular FormulaC30H36F2N4O5
Molecular Weight570.64 g/mol
Exact Mass570.27
IUPAC Name1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOCC(F)(F)C(=O)N1CCC(C2(n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C30H36F2N4O5/c1-18-15-24(41-4)22(26(37)34-18)16-33-27(38)25-19(2)36(23-8-6-5-7-21(23)25)29(11-12-29)20-9-13-35(14-10-20)28(39)30(31,32)17-40-3/h5-8,15,20H,9-14,16-17H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyUJPJVULSKNKPNV-UHFFFAOYSA-N
XLogP3.89
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791545) is 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COCC(F)(F)C(=O)N1CCC(C2(n3c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is UJPJVULSKNKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N4O5/c1-18-15-24(41-4)22(26(37)34-18)16-33-27(38)25-19(2)36(23-8-6-5-7-21(23)25)29(11-12-29)20-9-13-35(14-10-20)28(39)30(31,32)17-40-3/h5-8,15,20H,9-14,16-17H2,1-4H3,(H,33,38)(H,34,37).
What are the key properties of 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 570.64 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).