(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C30H39FN4O2 — CID 56942922

IUPAC(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CCC1CCCC1)CC2)C1CCN(c2ccncc2F)CC1
InChIInChI=1S/C30H39FN4O2/c1-33(24-14-17-35(18-15-24)28-13-16-32-20-26(28)31)30(37)23-9-8-22-10-11-27(25(22)19-23)34(2)29(36)12-7-21-5-3-4-6-21/h8-9,13,16,19-21,24,27H,3-7,10-12,14-15,17-18H2,1-2H3/t27-/m1/s1
InChIKeyBLXZBJNJBFWJFI-HHHXNRCGSA-N
MW506.67 g/mol
LogP5.38
Rot. Bonds7

About (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56942922) has the molecular formula C30H39FN4O2 and a molecular weight of 506.67 g/mol. Its IUPAC name is (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56942922
Molecular FormulaC30H39FN4O2
Molecular Weight506.67 g/mol
Exact Mass506.31
IUPAC Name(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CCC1CCCC1)CC2)C1CCN(c2ccncc2F)CC1
InChIInChI=1S/C30H39FN4O2/c1-33(24-14-17-35(18-15-24)28-13-16-32-20-26(28)31)30(37)23-9-8-22-10-11-27(25(22)19-23)34(2)29(36)12-7-21-5-3-4-6-21/h8-9,13,16,19-21,24,27H,3-7,10-12,14-15,17-18H2,1-2H3/t27-/m1/s1
InChIKeyBLXZBJNJBFWJFI-HHHXNRCGSA-N
XLogP5.38
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 56942922) is (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CCC1CCCC1)CC2)C1CCN(c2ccncc2F)CC1.
What is the InChIKey of (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BLXZBJNJBFWJFI-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H39FN4O2/c1-33(24-14-17-35(18-15-24)28-13-16-32-20-26(28)31)30(37)23-9-8-22-10-11-27(25(22)19-23)34(2)29(36)12-7-21-5-3-4-6-21/h8-9,13,16,19-21,24,27H,3-7,10-12,14-15,17-18H2,1-2H3/t27-/m1/s1.
What are the key properties of (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 506.67 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56942922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).