(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide

C24H28N4O — CID 97284779

IUPAC(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC2(CNC(=O)C[C@@H](c3ccccc3)c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyGHCAJLVOBMCDRM-NRFANRHFSA-N
MW388.52 g/mol
LogP4.01
Rot. Bonds8

About (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide

(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 97284779) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
PubChem CID97284779
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC2(CNC(=O)C[C@@H](c3ccccc3)c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyGHCAJLVOBMCDRM-NRFANRHFSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide (CID 97284779) is (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide is Cc1cc(C)n(CC2(CNC(=O)C[C@@H](c3ccccc3)c3ccccn3)CC2)n1.
What is the InChIKey of (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is GHCAJLVOBMCDRM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
(3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 97284779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).