N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide

C20H20N6O — CID 122300536

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)Cc3cn(C)c4ccccc34)cn2)n1
InChIInChI=1S/C20H20N6O/c1-13-8-14(2)26(24-13)20-21-10-16(11-22-20)23-19(27)9-15-12-25(3)18-7-5-4-6-17(15)18/h4-8,10-12H,9H2,1-3H3,(H,23,27)
InChIKeyKSPIADGBRDJLES-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 122300536) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
PubChem CID122300536
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)Cc3cn(C)c4ccccc34)cn2)n1
InChIInChI=1S/C20H20N6O/c1-13-8-14(2)26(24-13)20-21-10-16(11-22-20)23-19(27)9-15-12-25(3)18-7-5-4-6-17(15)18/h4-8,10-12H,9H2,1-3H3,(H,23,27)
InChIKeyKSPIADGBRDJLES-UHFFFAOYSA-N
XLogP2.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 47082932
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 71883645
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300441
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide (CID 122300536) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide is Cc1cc(C)n(-c2ncc(NC(=O)Cc3cn(C)c4ccccc34)cn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is KSPIADGBRDJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-8-14(2)26(24-13)20-21-10-16(11-22-20)23-19(27)9-15-12-25(3)18-7-5-4-6-17(15)18/h4-8,10-12H,9H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 122300536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).