(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide

C23H27ClN6O3 — CID 58857969

IUPAC(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C23H27ClN6O3/c1-15-25-13-19-14-29(23(33)30(15)19)18-8-11-27(12-9-18)21(31)20-3-2-10-28(20)22(32)26-17-6-4-16(24)5-7-17/h4-7,13,18,20H,2-3,8-12,14H2,1H3,(H,26,32)/t20-/m1/s1
InChIKeyACKRPRZMGFGKHF-HXUWFJFHSA-N
MW470.96 g/mol
LogP3.32
Rot. Bonds3

About (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide

(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 58857969) has the molecular formula C23H27ClN6O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID58857969
Molecular FormulaC23H27ClN6O3
Molecular Weight470.96 g/mol
Exact Mass470.18
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C23H27ClN6O3/c1-15-25-13-19-14-29(23(33)30(15)19)18-8-11-27(12-9-18)21(31)20-3-2-10-28(20)22(32)26-17-6-4-16(24)5-7-17/h4-7,13,18,20H,2-3,8-12,14H2,1H3,(H,26,32)/t20-/m1/s1
InChIKeyACKRPRZMGFGKHF-HXUWFJFHSA-N
XLogP3.32
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide (CID 58857969) is (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)CC1)C2.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is ACKRPRZMGFGKHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27ClN6O3/c1-15-25-13-19-14-29(23(33)30(15)19)18-8-11-27(12-9-18)21(31)20-3-2-10-28(20)22(32)26-17-6-4-16(24)5-7-17/h4-7,13,18,20H,2-3,8-12,14H2,1H3,(H,26,32)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58857969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).