(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H35N5O2 — CID 142462296

IUPAC(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(C(CC)(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)C(=O)NC)cc1
InChIInChI=1S/C28H35N5O2/c1-6-19-13-15-21(16-14-19)28(7-2,26(35)29-5)32-25(34)22-18-30-33-24(22)31-23(17-27(33,3)4)20-11-9-8-10-12-20/h8-16,18,23,31H,6-7,17H2,1-5H3,(H,29,35)(H,32,34)/t23-,28?/m1/s1
InChIKeyLENKXMRODZJIMC-YFIOFSHDSA-N
MW473.62 g/mol
LogP4.52
Rot. Bonds7

About (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142462296) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142462296
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(C(CC)(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)C(=O)NC)cc1
InChIInChI=1S/C28H35N5O2/c1-6-19-13-15-21(16-14-19)28(7-2,26(35)29-5)32-25(34)22-18-30-33-24(22)31-23(17-27(33,3)4)20-11-9-8-10-12-20/h8-16,18,23,31H,6-7,17H2,1-5H3,(H,29,35)(H,32,34)/t23-,28?/m1/s1
InChIKeyLENKXMRODZJIMC-YFIOFSHDSA-N
XLogP4.52
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142462296) is (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(C(CC)(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)C(=O)NC)cc1.
What is the InChIKey of (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LENKXMRODZJIMC-YFIOFSHDSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-6-19-13-15-21(16-14-19)28(7-2,26(35)29-5)32-25(34)22-18-30-33-24(22)31-23(17-27(33,3)4)20-11-9-8-10-12-20/h8-16,18,23,31H,6-7,17H2,1-5H3,(H,29,35)(H,32,34)/t23-,28?/m1/s1.
What are the key properties of (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142462296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).