N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide

C25H27N7O4S — CID 155368534

IUPACN-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(C3CC3)n2)cn1)C1(c2ccnc(NS(=O)(=O)C3CC3)n2)CCOCC1
InChIInChI=1S/C25H27N7O4S/c33-23(31-22-6-3-17(13-28-22)20-15-26-14-19(29-20)16-1-2-16)25(8-11-36-12-9-25)21-7-10-27-24(30-21)32-37(34,35)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2,(H,27,30,32)(H,28,31,33)
InChIKeyBZQGGADYOGYPHE-UHFFFAOYSA-N
MW521.60 g/mol
LogP2.80
Rot. Bonds8

About N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide

N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide (PubChem CID 155368534) has the molecular formula C25H27N7O4S and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
PubChem CID155368534
Molecular FormulaC25H27N7O4S
Molecular Weight521.60 g/mol
Exact Mass521.18
IUPAC NameN-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(C3CC3)n2)cn1)C1(c2ccnc(NS(=O)(=O)C3CC3)n2)CCOCC1
InChIInChI=1S/C25H27N7O4S/c33-23(31-22-6-3-17(13-28-22)20-15-26-14-19(29-20)16-1-2-16)25(8-11-36-12-9-25)21-7-10-27-24(30-21)32-37(34,35)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2,(H,27,30,32)(H,28,31,33)
InChIKeyBZQGGADYOGYPHE-UHFFFAOYSA-N
XLogP2.80
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-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 N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide (CID 155368534) is N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide is O=C(Nc1ccc(-c2cncc(C3CC3)n2)cn1)C1(c2ccnc(NS(=O)(=O)C3CC3)n2)CCOCC1.
What is the InChIKey of N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The InChIKey is BZQGGADYOGYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4S/c33-23(31-22-6-3-17(13-28-22)20-15-26-14-19(29-20)16-1-2-16)25(8-11-36-12-9-25)21-7-10-27-24(30-21)32-37(34,35)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2,(H,27,30,32)(H,28,31,33).
What are the key properties of N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 155368534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).