3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide

C28H39N7O3 — CID 147495453

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide
SMILESCC(C)(CO)Nc1cnc(C(=O)Nc2cc(C3CC3)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H39N7O3/c1-27(2,18-36)33-22-17-29-24(25(31-22)35-9-7-28(5-6-28)8-10-35)26(37)32-21-15-20(19-3-4-19)16-23(30-21)34-11-13-38-14-12-34/h15-17,19,36H,3-14,18H2,1-2H3,(H,31,33)(H,30,32,37)
InChIKeyFGIWXYKXTUYZKU-UHFFFAOYSA-N
MW521.67 g/mol
LogP3.40
Rot. Bonds8

About 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide (PubChem CID 147495453) has the molecular formula C28H39N7O3 and a molecular weight of 521.67 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide
PubChem CID147495453
Molecular FormulaC28H39N7O3
Molecular Weight521.67 g/mol
Exact Mass521.31
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide
SMILESCC(C)(CO)Nc1cnc(C(=O)Nc2cc(C3CC3)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H39N7O3/c1-27(2,18-36)33-22-17-29-24(25(31-22)35-9-7-28(5-6-28)8-10-35)26(37)32-21-15-20(19-3-4-19)16-23(30-21)34-11-13-38-14-12-34/h15-17,19,36H,3-14,18H2,1-2H3,(H,31,33)(H,30,32,37)
InChIKeyFGIWXYKXTUYZKU-UHFFFAOYSA-N
XLogP3.40
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide (CID 147495453) is 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide is CC(C)(CO)Nc1cnc(C(=O)Nc2cc(C3CC3)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide?
The InChIKey is FGIWXYKXTUYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O3/c1-27(2,18-36)33-22-17-29-24(25(31-22)35-9-7-28(5-6-28)8-10-35)26(37)32-21-15-20(19-3-4-19)16-23(30-21)34-11-13-38-14-12-34/h15-17,19,36H,3-14,18H2,1-2H3,(H,31,33)(H,30,32,37).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide?
3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 147495453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).