3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide

C23H27N9O2 — CID 135361530

IUPAC3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCn1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4)C3)nnc2C(N)=O)cn1
InChIInChI=1S/C23H27N9O2/c1-31-12-18(11-25-31)26-21-19(20(24)33)29-30-23(28-21)32-10-2-3-17(13-32)27-22(34)16-8-6-15(7-9-16)14-4-5-14/h6-9,11-12,14,17H,2-5,10,13H2,1H3,(H2,24,33)(H,27,34)(H,26,28,30)
InChIKeyTYKNOKYWHGVCQR-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.72
Rot. Bonds7

About 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide

3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 135361530) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID135361530
Molecular FormulaC23H27N9O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Name3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCn1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4)C3)nnc2C(N)=O)cn1
InChIInChI=1S/C23H27N9O2/c1-31-12-18(11-25-31)26-21-19(20(24)33)29-30-23(28-21)32-10-2-3-17(13-32)27-22(34)16-8-6-15(7-9-16)14-4-5-14/h6-9,11-12,14,17H,2-5,10,13H2,1H3,(H2,24,33)(H,27,34)(H,26,28,30)
InChIKeyTYKNOKYWHGVCQR-UHFFFAOYSA-N
XLogP1.72
TPSA143.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 145201112
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 146835383
5-(4-cyanoanilino)-3-[(3R)-3-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118114478
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[4-(4,4-difluoropiperidin-1-yl)anilino]pyrazine-2-carboxamide
CID 145201377
3-[3-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-5-[4-(pyrrolidine-1-carboximidoyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114699
[[5-[5-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonyl]amino] 4-cyclopropylbenzoate
CID 145201166
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 159456829
N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118115009
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[2-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 145200985
3-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114736
3-[3-(4-tert-butylanilino)piperidin-1-yl]-5-(4-methylanilino)-1,2,4-triazine-6-carboxamide
CID 118143159
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
CID 158305792

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (CID 135361530) is 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is Cn1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4)C3)nnc2C(N)=O)cn1.
What is the InChIKey of 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is TYKNOKYWHGVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2/c1-31-12-18(11-25-31)26-21-19(20(24)33)29-30-23(28-21)32-10-2-3-17(13-32)27-22(34)16-8-6-15(7-9-16)14-4-5-14/h6-9,11-12,14,17H,2-5,10,13H2,1H3,(H2,24,33)(H,27,34)(H,26,28,30).
What are the key properties of 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 135361530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).