3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide

C24H23F3N8O — CID 118875847

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C24H23F3N8O/c25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35/h1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36)
InChIKeyKQKVTOFNZCMSEP-UHFFFAOYSA-N
MW496.50 g/mol
LogP3.80
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide (PubChem CID 118875847) has the molecular formula C24H23F3N8O and a molecular weight of 496.50 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide
PubChem CID118875847
Molecular FormulaC24H23F3N8O
Molecular Weight496.50 g/mol
Exact Mass496.19
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C24H23F3N8O/c25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35/h1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36)
InChIKeyKQKVTOFNZCMSEP-UHFFFAOYSA-N
XLogP3.80
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide (CID 118875847) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?
The InChIKey is KQKVTOFNZCMSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O/c25-24(26,27)19-11-15-14(3-1-4-16(15)32-19)17-12-31-21(29)20(33-17)23(36)34-22-18(5-2-8-30-22)35-9-6-13(28)7-10-35/h1-5,8,11-13,32H,6-7,9-10,28H2,(H2,29,31)(H,30,34,36).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118875847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).