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

C32H36ClN5O2 — CID 66805474

IUPAC(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccnc(C3CCCC3)n2)CC1
InChIInChI=1S/C32H36ClN5O2/c1-37(24-15-18-38(19-16-24)29-14-17-34-30(36-29)22-6-2-3-7-22)32(40)23-11-10-21-12-13-28(26(21)20-23)35-31(39)25-8-4-5-9-27(25)33/h4-5,8-11,14,17,20,22,24,28H,2-3,6-7,12-13,15-16,18-19H2,1H3,(H,35,39)/t28-/m1/s1
InChIKeyMOTZDDSJJQAUOM-MUUNZHRXSA-N
MW558.13 g/mol
LogP5.95
Rot. Bonds6

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

(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66805474) has the molecular formula C32H36ClN5O2 and a molecular weight of 558.13 g/mol. Its IUPAC name is (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66805474
Molecular FormulaC32H36ClN5O2
Molecular Weight558.13 g/mol
Exact Mass557.26
IUPAC Name(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccnc(C3CCCC3)n2)CC1
InChIInChI=1S/C32H36ClN5O2/c1-37(24-15-18-38(19-16-24)29-14-17-34-30(36-29)22-6-2-3-7-22)32(40)23-11-10-21-12-13-28(26(21)20-23)35-31(39)25-8-4-5-9-27(25)33/h4-5,8-11,14,17,20,22,24,28H,2-3,6-7,12-13,15-16,18-19H2,1H3,(H,35,39)/t28-/m1/s1
InChIKeyMOTZDDSJJQAUOM-MUUNZHRXSA-N
XLogP5.95
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66805474) is (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccnc(C3CCCC3)n2)CC1.
What is the InChIKey of (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is MOTZDDSJJQAUOM-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H36ClN5O2/c1-37(24-15-18-38(19-16-24)29-14-17-34-30(36-29)22-6-2-3-7-22)32(40)23-11-10-21-12-13-28(26(21)20-23)35-31(39)25-8-4-5-9-27(25)33/h4-5,8-11,14,17,20,22,24,28H,2-3,6-7,12-13,15-16,18-19H2,1H3,(H,35,39)/t28-/m1/s1.
What are the key properties of (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 558.13 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).