(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C24H29N5O2 — CID 25453908

IUPAC(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H29N5O2/c25-21(30)20-10-5-13-29(20)24(31)17-11-14-28(15-12-17)23-18-8-4-9-19(18)26-22(27-23)16-6-2-1-3-7-16/h1-3,6-7,17,20H,4-5,8-15H2,(H2,25,30)/t20-/m0/s1
InChIKeyXFWOQFXMWZCVRE-FQEVSTJZSA-N
MW419.53 g/mol
LogP2.33
Rot. Bonds4

About (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 25453908) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID25453908
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H29N5O2/c25-21(30)20-10-5-13-29(20)24(31)17-11-14-28(15-12-17)23-18-8-4-9-19(18)26-22(27-23)16-6-2-1-3-7-16/h1-3,6-7,17,20H,4-5,8-15H2,(H2,25,30)/t20-/m0/s1
InChIKeyXFWOQFXMWZCVRE-FQEVSTJZSA-N
XLogP2.33
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 25453908) is (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is XFWOQFXMWZCVRE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-21(30)20-10-5-13-29(20)24(31)17-11-14-28(15-12-17)23-18-8-4-9-19(18)26-22(27-23)16-6-2-1-3-7-16/h1-3,6-7,17,20H,4-5,8-15H2,(H2,25,30)/t20-/m0/s1.
What are the key properties of (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25453908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).