5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25FN6O — CID 134224497

IUPAC5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=N/C=C(F)\C=C(/C)C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
InChIInChI=1S/C21H25FN6O/c1-14(11-15(22)12-23-3)17-5-4-9-27(17)18-6-10-28-19(25-18)16(13-24-28)20(29)26-21(2)7-8-21/h6,10-13,17H,3-5,7-9H2,1-2H3,(H,26,29)/b14-11+,15-12+
InChIKeyHNOLIXSBWLZNBN-LCPPQYOVSA-N
MW396.47 g/mol
LogP3.44
Rot. Bonds6

About 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134224497) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134224497
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=N/C=C(F)\C=C(/C)C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1
InChIInChI=1S/C21H25FN6O/c1-14(11-15(22)12-23-3)17-5-4-9-27(17)18-6-10-28-19(25-18)16(13-24-28)20(29)26-21(2)7-8-21/h6,10-13,17H,3-5,7-9H2,1-2H3,(H,26,29)/b14-11+,15-12+
InChIKeyHNOLIXSBWLZNBN-LCPPQYOVSA-N
XLogP3.44
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500247
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500249
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501208
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154592188
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86664577
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502090
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500507
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501570
5-(2-but-1-en-2-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 146209357
N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68913074

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134224497) is 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=N/C=C(F)\C=C(/C)C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1.
What is the InChIKey of 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HNOLIXSBWLZNBN-LCPPQYOVSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-14(11-15(22)12-23-3)17-5-4-9-27(17)18-6-10-28-19(25-18)16(13-24-28)20(29)26-21(2)7-8-21/h6,10-13,17H,3-5,7-9H2,1-2H3,(H,26,29)/b14-11+,15-12+.
What are the key properties of 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134224497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).