4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

C21H18BrN7O2 — CID 67384213

IUPAC4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(Br)c3)nc2n1
InChIInChI=1S/C21H18BrN7O2/c1-27-18(15(11-23-27)20(31)28-7-3-8-28)19(30)25-17-6-9-29-12-16(24-21(29)26-17)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,25,26,30)
InChIKeyQTNDVUXXGPSJKW-UHFFFAOYSA-N
MW480.33 g/mol
LogP2.99
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 67384213) has the molecular formula C21H18BrN7O2 and a molecular weight of 480.33 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID67384213
Molecular FormulaC21H18BrN7O2
Molecular Weight480.33 g/mol
Exact Mass479.07
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(Br)c3)nc2n1
InChIInChI=1S/C21H18BrN7O2/c1-27-18(15(11-23-27)20(31)28-7-3-8-28)19(30)25-17-6-9-29-12-16(24-21(29)26-17)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,25,26,30)
InChIKeyQTNDVUXXGPSJKW-UHFFFAOYSA-N
XLogP2.99
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (CID 67384213) is 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(Br)c3)nc2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QTNDVUXXGPSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN7O2/c1-27-18(15(11-23-27)20(31)28-7-3-8-28)19(30)25-17-6-9-29-12-16(24-21(29)26-17)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,25,26,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 480.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67384213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).