5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide

C31H39N11O — CID 75182820

IUPAC5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(N4CCCC(NC(=O)c5cnc(C(C)(C)C)cn5)C4)nc4nccnc34)nc2)CC1
InChIInChI=1S/C31H39N11O/c1-31(2,3)25-19-34-24(18-35-25)30(43)37-21-6-5-11-42(20-21)27-16-23(28-29(39-27)33-10-9-32-28)38-26-8-7-22(17-36-26)41-14-12-40(4)13-15-41/h7-10,16-19,21H,5-6,11-15,20H2,1-4H3,(H,37,43)(H,33,36,38,39)
InChIKeyIVNACHWIEVVDQL-UHFFFAOYSA-N
MW581.73 g/mol
LogP3.40
Rot. Bonds6

About 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide

5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 75182820) has the molecular formula C31H39N11O and a molecular weight of 581.73 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID75182820
Molecular FormulaC31H39N11O
Molecular Weight581.73 g/mol
Exact Mass581.33
IUPAC Name5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(N4CCCC(NC(=O)c5cnc(C(C)(C)C)cn5)C4)nc4nccnc34)nc2)CC1
InChIInChI=1S/C31H39N11O/c1-31(2,3)25-19-34-24(18-35-25)30(43)37-21-6-5-11-42(20-21)27-16-23(28-29(39-27)33-10-9-32-28)38-26-8-7-22(17-36-26)41-14-12-40(4)13-15-41/h7-10,16-19,21H,5-6,11-15,20H2,1-4H3,(H,37,43)(H,33,36,38,39)
InChIKeyIVNACHWIEVVDQL-UHFFFAOYSA-N
XLogP3.40
TPSA128.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.73
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide (CID 75182820) is 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide is CN1CCN(c2ccc(Nc3cc(N4CCCC(NC(=O)c5cnc(C(C)(C)C)cn5)C4)nc4nccnc34)nc2)CC1.
What is the InChIKey of 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is IVNACHWIEVVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N11O/c1-31(2,3)25-19-34-24(18-35-25)30(43)37-21-6-5-11-42(20-21)27-16-23(28-29(39-27)33-10-9-32-28)38-26-8-7-22(17-36-26)41-14-12-40(4)13-15-41/h7-10,16-19,21H,5-6,11-15,20H2,1-4H3,(H,37,43)(H,33,36,38,39).
What are the key properties of 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide?
5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 581.73 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-6-yl]piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 75182820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).