3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide

C21H23N7O — CID 145085886

IUPAC3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide
SMILESCCCc1nc(C(=O)NCc2cccc3[nH]ccc23)c(N)nc1-n1cc(C)cn1
InChIInChI=1S/C21H23N7O/c1-3-5-17-20(28-12-13(2)10-25-28)27-19(22)18(26-17)21(29)24-11-14-6-4-7-16-15(14)8-9-23-16/h4,6-10,12,23H,3,5,11H2,1-2H3,(H2,22,27)(H,24,29)
InChIKeyBBHVJJLNKAQICA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide

3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide (PubChem CID 145085886) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide
PubChem CID145085886
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide
SMILESCCCc1nc(C(=O)NCc2cccc3[nH]ccc23)c(N)nc1-n1cc(C)cn1
InChIInChI=1S/C21H23N7O/c1-3-5-17-20(28-12-13(2)10-25-28)27-19(22)18(26-17)21(29)24-11-14-6-4-7-16-15(14)8-9-23-16/h4,6-10,12,23H,3,5,11H2,1-2H3,(H2,22,27)(H,24,29)
InChIKeyBBHVJJLNKAQICA-UHFFFAOYSA-N
XLogP2.92
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane
CID 145086053
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
3-amino-6-(difluoromethyl)-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide;3-amino-6-formyl-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 135375629
5-acetamido-N-(1H-indol-4-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 177177101
3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 135375431
2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924581
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 95607706
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
CID 171059896
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
N-(2-propylphenyl)-1H-indole-4-carboxamide
CID 61273584
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide (CID 145085886) is 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide is CCCc1nc(C(=O)NCc2cccc3[nH]ccc23)c(N)nc1-n1cc(C)cn1.
What is the InChIKey of 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide?
The InChIKey is BBHVJJLNKAQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-5-17-20(28-12-13(2)10-25-28)27-19(22)18(26-17)21(29)24-11-14-6-4-7-16-15(14)8-9-23-16/h4,6-10,12,23H,3,5,11H2,1-2H3,(H2,22,27)(H,24,29).
What are the key properties of 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide?
3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-indol-4-ylmethyl)-5-(4-methylpyrazol-1-yl)-6-propylpyrazine-2-carboxamide is sourced from PubChem (CID 145085886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).