(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C31H33FN4O2 — CID 56941291

IUPAC(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CC1)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C31H33FN4O2/c1-35(23-12-18-36(19-13-23)24-10-16-33-17-11-24)29(37)22-7-6-21-8-9-28(25(21)20-22)34-30(38)31(14-15-31)26-4-2-3-5-27(26)32/h2-7,10-11,16-17,20,23,28H,8-9,12-15,18-19H2,1H3,(H,34,38)/t28-/m1/s1
InChIKeyBCCGBEJMWHFEAU-MUUNZHRXSA-N
MW512.63 g/mol
LogP4.80
Rot. Bonds6

About (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56941291) has the molecular formula C31H33FN4O2 and a molecular weight of 512.63 g/mol. Its IUPAC name is (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56941291
Molecular FormulaC31H33FN4O2
Molecular Weight512.63 g/mol
Exact Mass512.26
IUPAC Name(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CC1)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C31H33FN4O2/c1-35(23-12-18-36(19-13-23)24-10-16-33-17-11-24)29(37)22-7-6-21-8-9-28(25(21)20-22)34-30(38)31(14-15-31)26-4-2-3-5-27(26)32/h2-7,10-11,16-17,20,23,28H,8-9,12-15,18-19H2,1H3,(H,34,38)/t28-/m1/s1
InChIKeyBCCGBEJMWHFEAU-MUUNZHRXSA-N
XLogP4.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 56941291) is (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CC1)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BCCGBEJMWHFEAU-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33FN4O2/c1-35(23-12-18-36(19-13-23)24-10-16-33-17-11-24)29(37)22-7-6-21-8-9-28(25(21)20-22)34-30(38)31(14-15-31)26-4-2-3-5-27(26)32/h2-7,10-11,16-17,20,23,28H,8-9,12-15,18-19H2,1H3,(H,34,38)/t28-/m1/s1.
What are the key properties of (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 512.63 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56941291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).