1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

C23H24N6O — CID 75203471

IUPAC1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccc(C)c34)C2)n1
InChIInChI=1S/C23H24N6O/c1-16-5-3-4-6-20(16)29-13-9-19(26-29)23(30)25-18-8-12-28(15-18)22-21-17(2)7-11-27(21)14-10-24-22/h3-7,9-11,13-14,18H,8,12,15H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeyFBJQZYGEMIUPFB-SFHVURJKSA-N
MW400.49 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 75203471) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID75203471
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccc(C)c34)C2)n1
InChIInChI=1S/C23H24N6O/c1-16-5-3-4-6-20(16)29-13-9-19(26-29)23(30)25-18-8-12-28(15-18)22-21-17(2)7-11-27(21)14-10-24-22/h3-7,9-11,13-14,18H,8,12,15H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeyFBJQZYGEMIUPFB-SFHVURJKSA-N
XLogP3.15
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 75203471) is 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccc(C)c34)C2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is FBJQZYGEMIUPFB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-5-3-4-6-20(16)29-13-9-19(26-29)23(30)25-18-8-12-28(15-18)22-21-17(2)7-11-27(21)14-10-24-22/h3-7,9-11,13-14,18H,8,12,15H2,1-2H3,(H,25,30)/t18-/m0/s1.
What are the key properties of 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 75203471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).