7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C28H36N8O2 — CID 67380281

IUPAC7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCCC5C4=O)cn3)nc2n1C1CCCCC1
InChIInChI=1S/C28H36N8O2/c1-33(2)26(37)23-16-19-17-30-28(32-25(19)36(23)20-8-4-3-5-9-20)31-24-12-11-21(18-29-24)35-15-14-34-13-7-6-10-22(34)27(35)38/h11-12,16-18,20,22H,3-10,13-15H2,1-2H3,(H,29,30,31,32)
InChIKeyXGEJQZNPNALCEX-UHFFFAOYSA-N
MW516.65 g/mol
LogP3.98
Rot. Bonds5

About 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67380281) has the molecular formula C28H36N8O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67380281
Molecular FormulaC28H36N8O2
Molecular Weight516.65 g/mol
Exact Mass516.30
IUPAC Name7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCCC5C4=O)cn3)nc2n1C1CCCCC1
InChIInChI=1S/C28H36N8O2/c1-33(2)26(37)23-16-19-17-30-28(32-25(19)36(23)20-8-4-3-5-9-20)31-24-12-11-21(18-29-24)35-15-14-34-13-7-6-10-22(34)27(35)38/h11-12,16-18,20,22H,3-10,13-15H2,1-2H3,(H,29,30,31,32)
InChIKeyXGEJQZNPNALCEX-UHFFFAOYSA-N
XLogP3.98
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67380281) is 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCCC5C4=O)cn3)nc2n1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XGEJQZNPNALCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2/c1-33(2)26(37)23-16-19-17-30-28(32-25(19)36(23)20-8-4-3-5-9-20)31-24-12-11-21(18-29-24)35-15-14-34-13-7-6-10-22(34)27(35)38/h11-12,16-18,20,22H,3-10,13-15H2,1-2H3,(H,29,30,31,32).
What are the key properties of 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67380281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).