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

C29H34F2N4O4 — CID 144791435

IUPAC1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(CC2CCN(C(=O)C3CC(F)(F)C3)CC2)c2ccccc12
InChIInChI=1S/C29H34F2N4O4/c1-17-12-24(39-3)22(26(36)33-17)15-32-27(37)25-18(2)35(23-7-5-4-6-21(23)25)16-19-8-10-34(11-9-19)28(38)20-13-29(30,31)14-20/h4-7,12,19-20H,8-11,13-16H2,1-3H3,(H,32,37)(H,33,36)
InChIKeyFMKVVFZNXKOUMK-UHFFFAOYSA-N
MW540.61 g/mol
LogP4.17
Rot. Bonds7

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

1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791435) has the molecular formula C29H34F2N4O4 and a molecular weight of 540.61 g/mol. Its IUPAC name is 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID144791435
Molecular FormulaC29H34F2N4O4
Molecular Weight540.61 g/mol
Exact Mass540.25
IUPAC Name1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(CC2CCN(C(=O)C3CC(F)(F)C3)CC2)c2ccccc12
InChIInChI=1S/C29H34F2N4O4/c1-17-12-24(39-3)22(26(36)33-17)15-32-27(37)25-18(2)35(23-7-5-4-6-21(23)25)16-19-8-10-34(11-9-19)28(38)20-13-29(30,31)14-20/h4-7,12,19-20H,8-11,13-16H2,1-3H3,(H,32,37)(H,33,36)
InChIKeyFMKVVFZNXKOUMK-UHFFFAOYSA-N
XLogP4.17
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.61
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791435) is 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(CC2CCN(C(=O)C3CC(F)(F)C3)CC2)c2ccccc12.
What is the InChIKey of 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is FMKVVFZNXKOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N4O4/c1-17-12-24(39-3)22(26(36)33-17)15-32-27(37)25-18(2)35(23-7-5-4-6-21(23)25)16-19-8-10-34(11-9-19)28(38)20-13-29(30,31)14-20/h4-7,12,19-20H,8-11,13-16H2,1-3H3,(H,32,37)(H,33,36).
What are the key properties of 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 540.61 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).