3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide

C25H25ClN8O — CID 118873236

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc4ccc(Cl)cc34)cnc2N)CC1
InChIInChI=1S/C25H25ClN8O/c1-25(28)7-11-34(12-8-25)19-3-2-9-30-23(19)33-24(35)21-22(27)31-14-18(32-21)20-17-13-16(26)5-4-15(17)6-10-29-20/h2-6,9-10,13-14H,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyDKGIQYXYEVWNNO-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.89
Rot. Bonds4

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide (PubChem CID 118873236) has the molecular formula C25H25ClN8O and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide
PubChem CID118873236
Molecular FormulaC25H25ClN8O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc4ccc(Cl)cc34)cnc2N)CC1
InChIInChI=1S/C25H25ClN8O/c1-25(28)7-11-34(12-8-25)19-3-2-9-30-23(19)33-24(35)21-22(27)31-14-18(32-21)20-17-13-16(26)5-4-15(17)6-10-29-20/h2-6,9-10,13-14H,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyDKGIQYXYEVWNNO-UHFFFAOYSA-N
XLogP3.89
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
CID 118873278
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
1-(5-(4-Chlorophenyl)-6-(pyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576684
1-[4-(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}pyridin-2-yl)piperazin-1-yl]ethanone
CID 46906794
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(3-chloropyridin-2-yl)pyrazine-2-carboxamide
CID 118873186
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(3-morpholinoisoquinolin-1-yl)pyrazine-2-carboxamide
CID 118873198
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
CID 118873210
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873261
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(6-fluoro-2-methylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873262
3-amino-N-[3-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(1-morpholin-4-ylisoquinolin-3-yl)pyrazine-2-carboxamide
CID 118873277
3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118873285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide (CID 118873236) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc4ccc(Cl)cc34)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide?
The InChIKey is DKGIQYXYEVWNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O/c1-25(28)7-11-34(12-8-25)19-3-2-9-30-23(19)33-24(35)21-22(27)31-14-18(32-21)20-17-13-16(26)5-4-15(17)6-10-29-20/h2-6,9-10,13-14H,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 3.89, 4 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-(7-chloroisoquinolin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).