(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide

C34H45N5O3 — CID 163303580

IUPAC(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCc1ccc(C(CC)(NC(=O)c2cnn3c2C[C@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1
InChIInChI=1S/C34H45N5O3/c1-7-23-14-16-26(17-15-23)34(8-2,32(42)37-28(30(35)40)18-22(3)4)38-31(41)27-21-36-39-29(27)19-25(20-33(39,5)6)24-12-10-9-11-13-24/h9-17,21-22,25,28H,7-8,18-20H2,1-6H3,(H2,35,40)(H,37,42)(H,38,41)/t25-,28-,34?/m0/s1
InChIKeyRFHHOLCSZUPWEQ-KDESLUHQSA-N
MW571.77 g/mol
LogP4.96
Rot. Bonds11

About (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide

(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163303580) has the molecular formula C34H45N5O3 and a molecular weight of 571.77 g/mol. Its IUPAC name is (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID163303580
Molecular FormulaC34H45N5O3
Molecular Weight571.77 g/mol
Exact Mass571.35
IUPAC Name(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCc1ccc(C(CC)(NC(=O)c2cnn3c2C[C@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1
InChIInChI=1S/C34H45N5O3/c1-7-23-14-16-26(17-15-23)34(8-2,32(42)37-28(30(35)40)18-22(3)4)38-31(41)27-21-36-39-29(27)19-25(20-33(39,5)6)24-12-10-9-11-13-24/h9-17,21-22,25,28H,7-8,18-20H2,1-6H3,(H2,35,40)(H,37,42)(H,38,41)/t25-,28-,34?/m0/s1
InChIKeyRFHHOLCSZUPWEQ-KDESLUHQSA-N
XLogP4.96
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.77
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 150167964
2-[[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-(4-ethylphenyl)butanoic acid
CID 142462292
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
CID 173218917
N-[2-(4-ethylphenyl)butan-2-yl]-8,8-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a][1,3]diazepine-3-carboxamide
CID 146429442
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
1-[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethyl-3-(4-methylphenyl)pentan-1-one
CID 147525312
(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2,2,2-triphenylacetyl)amino]pentanamide
CID 11636383
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163303580) is (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide is CCc1ccc(C(CC)(NC(=O)c2cnn3c2C[C@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1.
What is the InChIKey of (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RFHHOLCSZUPWEQ-KDESLUHQSA-N. The full InChI is InChI=1S/C34H45N5O3/c1-7-23-14-16-26(17-15-23)34(8-2,32(42)37-28(30(35)40)18-22(3)4)38-31(41)27-21-36-39-29(27)19-25(20-33(39,5)6)24-12-10-9-11-13-24/h9-17,21-22,25,28H,7-8,18-20H2,1-6H3,(H2,35,40)(H,37,42)(H,38,41)/t25-,28-,34?/m0/s1.
What are the key properties of (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide?
(5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 571.77 g/mol, XLogP of 4.96, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163303580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).