N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide

C24H24FN7O — CID 57407260

IUPACN-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESC/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc2c(NCc2ccnn2C)n1
InChIInChI=1S/C24H24FN7O/c1-3-4-17-14-32-21(15-5-8-19(20(25)11-15)24(33)30-16-6-7-16)13-27-23(32)22(29-17)26-12-18-9-10-28-31(18)2/h3-5,8-11,13-14,16H,6-7,12H2,1-2H3,(H,26,29)(H,30,33)/b4-3+
InChIKeyUGMYYWDEQWSMPN-ONEGZZNKSA-N
MW445.50 g/mol
LogP3.81
Rot. Bonds7

About N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57407260) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57407260
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC NameN-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESC/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc2c(NCc2ccnn2C)n1
InChIInChI=1S/C24H24FN7O/c1-3-4-17-14-32-21(15-5-8-19(20(25)11-15)24(33)30-16-6-7-16)13-27-23(32)22(29-17)26-12-18-9-10-28-31(18)2/h3-5,8-11,13-14,16H,6-7,12H2,1-2H3,(H,26,29)(H,30,33)/b4-3+
InChIKeyUGMYYWDEQWSMPN-ONEGZZNKSA-N
XLogP3.81
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57407260) is N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is C/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc2c(NCc2ccnn2C)n1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is UGMYYWDEQWSMPN-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-3-4-17-14-32-21(15-5-8-19(20(25)11-15)24(33)30-16-6-7-16)13-27-23(32)22(29-17)26-12-18-9-10-28-31(18)2/h3-5,8-11,13-14,16H,6-7,12H2,1-2H3,(H,26,29)(H,30,33)/b4-3+.
What are the key properties of N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 445.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).