N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide

C28H32N6O2 — CID 161117287

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(-c2cncc(CC(=O)/C=C/CN3CCCC3)n2)c1
InChIInChI=1S/C28H32N6O2/c1-19(28(36)31-27-16-25(32-33-27)20-9-10-20)21-6-4-7-22(14-21)26-18-29-17-23(30-26)15-24(35)8-5-13-34-11-2-3-12-34/h4-8,14,16-20H,2-3,9-13,15H2,1H3,(H2,31,32,33,36)/b8-5+
InChIKeyKAWPVYXRNCKXNI-VMPITWQZSA-N
MW484.60 g/mol
LogP4.25
Rot. Bonds10

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide (PubChem CID 161117287) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide
PubChem CID161117287
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(-c2cncc(CC(=O)/C=C/CN3CCCC3)n2)c1
InChIInChI=1S/C28H32N6O2/c1-19(28(36)31-27-16-25(32-33-27)20-9-10-20)21-6-4-7-22(14-21)26-18-29-17-23(30-26)15-24(35)8-5-13-34-11-2-3-12-34/h4-8,14,16-20H,2-3,9-13,15H2,1H3,(H2,31,32,33,36)/b8-5+
InChIKeyKAWPVYXRNCKXNI-VMPITWQZSA-N
XLogP4.25
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methyl-2-[3-[6-[[(3E)-5-pyrrolidin-1-ylpenta-1,3-dien-2-yl]amino]-3-pyridinyl]phenyl]butanamide
CID 170336448
(E)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]-4-[(2R)-2-methylpyrrolidin-1-yl]but-2-enamide
CID 145196955
(E)-4-[(2S)-2-cyanopyrrolidin-1-yl]-N-[5-[3-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 134562613
(E)-4-(2-cyanopyrrolidin-1-yl)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 170336488
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methyl-2-[3-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]-3-pyridinyl]phenyl]butanamide
CID 164533260
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide
CID 134562615
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide (CID 161117287) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(-c2cncc(CC(=O)/C=C/CN3CCCC3)n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide?
The InChIKey is KAWPVYXRNCKXNI-VMPITWQZSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-19(28(36)31-27-16-25(32-33-27)20-9-10-20)21-6-4-7-22(14-21)26-18-29-17-23(30-26)15-24(35)8-5-13-34-11-2-3-12-34/h4-8,14,16-20H,2-3,9-13,15H2,1H3,(H2,31,32,33,36)/b8-5+.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide has a molecular weight of 484.60 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide is sourced from PubChem (CID 161117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).