methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate

C25H28N8O3 — CID 171063509

IUPACmethyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc3c2ncn3C)c(C2CC2)nc1Nc1cnn(C2CCOCC2)c1C
InChIInChI=1S/C25H28N8O3/c1-14-18(11-28-33(14)16-6-8-36-9-7-16)29-24-23(25(34)35-3)30-22(20(31-24)15-4-5-15)17-10-26-12-19-21(17)27-13-32(19)2/h10-13,15-16H,4-9H2,1-3H3,(H,29,31)
InChIKeyNAMDUYZQJXRTOQ-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.69
Rot. Bonds6

About methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate

methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate (PubChem CID 171063509) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
PubChem CID171063509
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Namemethyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc3c2ncn3C)c(C2CC2)nc1Nc1cnn(C2CCOCC2)c1C
InChIInChI=1S/C25H28N8O3/c1-14-18(11-28-33(14)16-6-8-36-9-7-16)29-24-23(25(34)35-3)30-22(20(31-24)15-4-5-15)17-10-26-12-19-21(17)27-13-32(19)2/h10-13,15-16H,4-9H2,1-3H3,(H,29,31)
InChIKeyNAMDUYZQJXRTOQ-UHFFFAOYSA-N
XLogP3.69
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate (CID 171063509) is methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate is COC(=O)c1nc(-c2cncc3c2ncn3C)c(C2CC2)nc1Nc1cnn(C2CCOCC2)c1C.
What is the InChIKey of methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
The InChIKey is NAMDUYZQJXRTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-14-18(11-28-33(14)16-6-8-36-9-7-16)29-24-23(25(34)35-3)30-22(20(31-24)15-4-5-15)17-10-26-12-19-21(17)27-13-32(19)2/h10-13,15-16H,4-9H2,1-3H3,(H,29,31).
What are the key properties of methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate?
methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate has a molecular weight of 488.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 171063509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).