5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide

C17H17BrFN5O2 — CID 118158332

IUPAC5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NOCC1CC1)C1(Nc2ccc(Br)cc2F)C=NC=C2CN=CN21
InChIInChI=1S/C17H17BrFN5O2/c18-12-3-4-15(14(19)5-12)22-17(16(25)23-26-8-11-1-2-11)9-20-6-13-7-21-10-24(13)17/h3-6,9-11,22H,1-2,7-8H2,(H,23,25)
InChIKeyRWMNIOFXJBOICP-UHFFFAOYSA-N
MW422.26 g/mol
LogP2.42
Rot. Bonds6

About 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide

5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 118158332) has the molecular formula C17H17BrFN5O2 and a molecular weight of 422.26 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID118158332
Molecular FormulaC17H17BrFN5O2
Molecular Weight422.26 g/mol
Exact Mass421.05
IUPAC Name5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NOCC1CC1)C1(Nc2ccc(Br)cc2F)C=NC=C2CN=CN21
InChIInChI=1S/C17H17BrFN5O2/c18-12-3-4-15(14(19)5-12)22-17(16(25)23-26-8-11-1-2-11)9-20-6-13-7-21-10-24(13)17/h3-6,9-11,22H,1-2,7-8H2,(H,23,25)
InChIKeyRWMNIOFXJBOICP-UHFFFAOYSA-N
XLogP2.42
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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8-(4-bromo-2-fluoroanilino)-N-(cyclobutylmethoxy)-2,2-dimethyl-6-oxo-4,9b-dihydro-3aH-[1,3]dioxolo[4,5-a]indolizine-9-carboxamide
CID 76673605
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
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N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine
CID 141242430
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CID 119909893
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
sodium 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylate
CID 166434949
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 118158332) is 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NOCC1CC1)C1(Nc2ccc(Br)cc2F)C=NC=C2CN=CN21.
What is the InChIKey of 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is RWMNIOFXJBOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5O2/c18-12-3-4-15(14(19)5-12)22-17(16(25)23-26-8-11-1-2-11)9-20-6-13-7-21-10-24(13)17/h3-6,9-11,22H,1-2,7-8H2,(H,23,25).
What are the key properties of 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide?
5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 422.26 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 118158332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).