1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide

C28H25N7O3 — CID 138687280

IUPAC1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C28H25N7O3/c1-32-17-21(9-11-25(32)36)35-24-10-8-20(14-19(24)16-29-35)34-26(37)15-23(27(34)18-6-4-3-5-7-18)30-28(38)22-12-13-33(2)31-22/h3-14,16-17,23,27H,15H2,1-2H3,(H,30,38)/t23-,27+/m0/s1
InChIKeyGFDFKVXLXQRVKG-WNCULLNHSA-N
MW507.55 g/mol
LogP2.73
Rot. Bonds5

About 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide

1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 138687280) has the molecular formula C28H25N7O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID138687280
Molecular FormulaC28H25N7O3
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C28H25N7O3/c1-32-17-21(9-11-25(32)36)35-24-10-8-20(14-19(24)16-29-35)34-26(37)15-23(27(34)18-6-4-3-5-7-18)30-28(38)22-12-13-33(2)31-22/h3-14,16-17,23,27H,15H2,1-2H3,(H,30,38)/t23-,27+/m0/s1
InChIKeyGFDFKVXLXQRVKG-WNCULLNHSA-N
XLogP2.73
TPSA107.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide (CID 138687280) is 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)[C@@H]2c2ccccc2)n1.
What is the InChIKey of 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is GFDFKVXLXQRVKG-WNCULLNHSA-N. The full InChI is InChI=1S/C28H25N7O3/c1-32-17-21(9-11-25(32)36)35-24-10-8-20(14-19(24)16-29-35)34-26(37)15-23(27(34)18-6-4-3-5-7-18)30-28(38)22-12-13-33(2)31-22/h3-14,16-17,23,27H,15H2,1-2H3,(H,30,38)/t23-,27+/m0/s1.
What are the key properties of 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 138687280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).