3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C26H27F5N8O — CID 118893870

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1
InChIInChI=1S/C26H27F5N8O/c1-24(33)6-9-39(10-7-24)18-3-2-8-34-22(18)38-23(40)20-21(32)35-13-17(37-20)19-15(26(29,30)31)4-5-16(36-19)14-11-25(27,28)12-14/h2-5,8,13-14H,6-7,9-12,33H2,1H3,(H2,32,35)(H,34,38,40)
InChIKeyREGYZNVOEPVCIC-UHFFFAOYSA-N
MW562.55 g/mol
LogP4.62
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118893870) has the molecular formula C26H27F5N8O and a molecular weight of 562.55 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118893870
Molecular FormulaC26H27F5N8O
Molecular Weight562.55 g/mol
Exact Mass562.22
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1
InChIInChI=1S/C26H27F5N8O/c1-24(33)6-9-39(10-7-24)18-3-2-8-34-22(18)38-23(40)20-21(32)35-13-17(37-20)19-15(26(29,30)31)4-5-16(36-19)14-11-25(27,28)12-14/h2-5,8,13-14H,6-7,9-12,33H2,1H3,(H2,32,35)(H,34,38,40)
InChIKeyREGYZNVOEPVCIC-UHFFFAOYSA-N
XLogP4.62
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.55
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118893870) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is REGYZNVOEPVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F5N8O/c1-24(33)6-9-39(10-7-24)18-3-2-8-34-22(18)38-23(40)20-21(32)35-13-17(37-20)19-15(26(29,30)31)4-5-16(36-19)14-11-25(27,28)12-14/h2-5,8,13-14H,6-7,9-12,33H2,1H3,(H2,32,35)(H,34,38,40).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 562.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-(3,3-difluorocyclobutyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118893870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).