5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C25H30N8O2 — CID 146835383

IUPAC5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@](C)(NC(=O)c4ccc(C5CC5)cc4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C25H30N8O2/c1-25(31-24(35)18-8-6-17(7-9-18)16-4-5-16)10-3-11-33(15-25)20-13-27-21(22(26)34)23(30-20)29-19-12-28-32(2)14-19/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H2,26,34)(H,29,30)(H,31,35)/t25-/m1/s1
InChIKeySEZWSMVPFWEKIH-RUZDIDTESA-N
MW474.57 g/mol
LogP2.72
Rot. Bonds7

About 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 146835383) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID146835383
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@](C)(NC(=O)c4ccc(C5CC5)cc4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C25H30N8O2/c1-25(31-24(35)18-8-6-17(7-9-18)16-4-5-16)10-3-11-33(15-25)20-13-27-21(22(26)34)23(30-20)29-19-12-28-32(2)14-19/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H2,26,34)(H,29,30)(H,31,35)/t25-/m1/s1
InChIKeySEZWSMVPFWEKIH-RUZDIDTESA-N
XLogP2.72
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-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

Related Compounds

3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 135361530
4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201308
3,3-dimethyl-2H-1-benzofuran-5-carboxamide;ethane;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201457
4-(diethylamino)benzamide;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201182
5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 161025913
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[4-(4,4-difluoropiperidin-1-yl)anilino]pyrazine-2-carboxamide
CID 145201377
ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 164762653
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
[[5-[5-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonyl]amino] 4-cyclopropylbenzoate
CID 145201166

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 146835383) is 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2nc(N3CCC[C@@](C)(NC(=O)c4ccc(C5CC5)cc4)C3)cnc2C(N)=O)cn1.
What is the InChIKey of 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is SEZWSMVPFWEKIH-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N8O2/c1-25(31-24(35)18-8-6-17(7-9-18)16-4-5-16)10-3-11-33(15-25)20-13-27-21(22(26)34)23(30-20)29-19-12-28-32(2)14-19/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H2,26,34)(H,29,30)(H,31,35)/t25-/m1/s1.
What are the key properties of 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 146835383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).