2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H27N7O3 — CID 145057175

IUPAC2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1oc2cccc(/C=C/c3cnn(C)c3)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C30H27N7O3/c1-18(34-30(39)25-28(31)35-37-15-7-14-32-29(25)37)27-24(20-8-4-3-5-9-20)26(38)23-21(10-6-11-22(23)40-27)13-12-19-16-33-36(2)17-19/h3-13,15-18,32H,14H2,1-2H3,(H2,31,35)(H,34,39)/b13-12+
InChIKeyWWUFVBCORZNPKP-OUKQBFOZSA-N
MW533.59 g/mol
LogP4.53
Rot. Bonds6

About 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145057175) has the molecular formula C30H27N7O3 and a molecular weight of 533.59 g/mol. Its IUPAC name is 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145057175
Molecular FormulaC30H27N7O3
Molecular Weight533.59 g/mol
Exact Mass533.22
IUPAC Name2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1oc2cccc(/C=C/c3cnn(C)c3)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C30H27N7O3/c1-18(34-30(39)25-28(31)35-37-15-7-14-32-29(25)37)27-24(20-8-4-3-5-9-20)26(38)23-21(10-6-11-22(23)40-27)13-12-19-16-33-36(2)17-19/h3-13,15-18,32H,14H2,1-2H3,(H2,31,35)(H,34,39)/b13-12+
InChIKeyWWUFVBCORZNPKP-OUKQBFOZSA-N
XLogP4.53
TPSA133.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145057175) is 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2c1NCC=C2)c1oc2cccc(/C=C/c3cnn(C)c3)c2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WWUFVBCORZNPKP-OUKQBFOZSA-N. The full InChI is InChI=1S/C30H27N7O3/c1-18(34-30(39)25-28(31)35-37-15-7-14-32-29(25)37)27-24(20-8-4-3-5-9-20)26(38)23-21(10-6-11-22(23)40-27)13-12-19-16-33-36(2)17-19/h3-13,15-18,32H,14H2,1-2H3,(H2,31,35)(H,34,39)/b13-12+.
What are the key properties of 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145057175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).