N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide

C26H40N4O2 — CID 71458534

IUPACN-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc21
InChIInChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1
InChIKeyYYAXFDUSWODWGA-WPFOTENUSA-N
MW440.63 g/mol
LogP3.64
Rot. Bonds8

About N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide

N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide (PubChem CID 71458534) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
PubChem CID71458534
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc21
InChIInChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1
InChIKeyYYAXFDUSWODWGA-WPFOTENUSA-N
XLogP3.64
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide (CID 71458534) is N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc21.
What is the InChIKey of N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The InChIKey is YYAXFDUSWODWGA-WPFOTENUSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-18(31)28-21(12-19-10-8-7-9-11-19)24(32)16-27-22-15-26(5,6)17-30-23(22)13-20(29-30)14-25(2,3)4/h7-11,13,21-22,24,27,32H,12,14-17H2,1-6H3,(H,28,31)/t21-,22-,24+/m0/s1.
What are the key properties of N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide has a molecular weight of 440.63 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-[[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 71458534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).