5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide

C20H22N8O — CID 118368222

IUPAC5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
SMILESCC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27)
InChIKeyCOIMAIWQOHMCIL-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.88
Rot. Bonds6

About 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide

5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide (PubChem CID 118368222) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
PubChem CID118368222
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
SMILESCC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27)
InChIKeyCOIMAIWQOHMCIL-UHFFFAOYSA-N
XLogP1.88
TPSA140.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(2S)-1-[[5-carbamoyl-6-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazin-2-yl]amino]propan-2-yl]carbamate
CID 140777756
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 123176707
6-(2-aminopropylamino)-4-[[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 78105681
6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 71544487
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
7-(1-methylpyrazol-4-yl)-1-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 56595052
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547341
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269993
1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pent-3-yn-2-one
CID 147954464
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
CID 78321525

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide (CID 118368222) is 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide is CC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1.
What is the InChIKey of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The InChIKey is COIMAIWQOHMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27).
What are the key properties of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118368222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).