4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine

C27H40FN7 — CID 165140376

IUPAC4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine
SMILESC=C(NC(c1ccnc(N)c1)c1ccc(C(C)C)c(F)c1)C1CCCN1C.C=CC/C(=C/N)NN
InChIInChI=1S/C22H29FN4.C5H11N3/c1-14(2)18-8-7-16(12-19(18)23)22(17-9-10-25-21(24)13-17)26-15(3)20-6-5-11-27(20)4;1-2-3-5(4-6)8-7/h7-10,12-14,20,22,26H,3,5-6,11H2,1-2,4H3,(H2,24,25);2,4,8H,1,3,6-7H2/b;5-4-
InChIKeyUJJFCTGLGGWFII-GUHKXDMSSA-N
MW481.66 g/mol
LogP4.04
Rot. Bonds9

About 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine

4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine (PubChem CID 165140376) has the molecular formula C27H40FN7 and a molecular weight of 481.66 g/mol. Its IUPAC name is 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine
PubChem CID165140376
Molecular FormulaC27H40FN7
Molecular Weight481.66 g/mol
Exact Mass481.33
IUPAC Name4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine
SMILESC=C(NC(c1ccnc(N)c1)c1ccc(C(C)C)c(F)c1)C1CCCN1C.C=CC/C(=C/N)NN
InChIInChI=1S/C22H29FN4.C5H11N3/c1-14(2)18-8-7-16(12-19(18)23)22(17-9-10-25-21(24)13-17)26-15(3)20-6-5-11-27(20)4;1-2-3-5(4-6)8-7/h7-10,12-14,20,22,26H,3,5-6,11H2,1-2,4H3,(H2,24,25);2,4,8H,1,3,6-7H2/b;5-4-
InChIKeyUJJFCTGLGGWFII-GUHKXDMSSA-N
XLogP4.04
TPSA118.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine?
The IUPAC name of 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine (CID 165140376) is 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine.
What is the SMILES notation for 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine?
The canonical SMILES for 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine is C=C(NC(c1ccnc(N)c1)c1ccc(C(C)C)c(F)c1)C1CCCN1C.C=CC/C(=C/N)NN.
What is the InChIKey of 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine?
The InChIKey is UJJFCTGLGGWFII-GUHKXDMSSA-N. The full InChI is InChI=1S/C22H29FN4.C5H11N3/c1-14(2)18-8-7-16(12-19(18)23)22(17-9-10-25-21(24)13-17)26-15(3)20-6-5-11-27(20)4;1-2-3-5(4-6)8-7/h7-10,12-14,20,22,26H,3,5-6,11H2,1-2,4H3,(H2,24,25);2,4,8H,1,3,6-7H2/b;5-4-.
What are the key properties of 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine?
4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine has a molecular weight of 481.66 g/mol, XLogP of 4.04, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-propan-2-ylphenyl)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]methyl]pyridin-2-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine is sourced from PubChem (CID 165140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).