N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C22H29N9O2 — CID 55842278

IUPACN-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C22H29N9O2/c1-14-9-15(2)25-22(24-14)31-19(10-16(3)28-31)27-20(32)13-30-7-5-18(6-8-30)26-21(33)17-11-23-29(4)12-17/h9-12,18H,5-8,13H2,1-4H3,(H,26,33)(H,27,32)
InChIKeySXRWKUVOPFKAMB-UHFFFAOYSA-N
MW451.54 g/mol
LogP1.15
Rot. Bonds6

About N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 55842278) has the molecular formula C22H29N9O2 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID55842278
Molecular FormulaC22H29N9O2
Molecular Weight451.54 g/mol
Exact Mass451.24
IUPAC NameN-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C22H29N9O2/c1-14-9-15(2)25-22(24-14)31-19(10-16(3)28-31)27-20(32)13-30-7-5-18(6-8-30)26-21(33)17-11-23-29(4)12-17/h9-12,18H,5-8,13H2,1-4H3,(H,26,33)(H,27,32)
InChIKeySXRWKUVOPFKAMB-UHFFFAOYSA-N
XLogP1.15
TPSA122.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
CID 75519227
1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55841955
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 55838315
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 55838736
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide
CID 167890562
tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512696
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 56786553

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 55842278) is N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is SXRWKUVOPFKAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O2/c1-14-9-15(2)25-22(24-14)31-19(10-16(3)28-31)27-20(32)13-30-7-5-18(6-8-30)26-21(33)17-11-23-29(4)12-17/h9-12,18H,5-8,13H2,1-4H3,(H,26,33)(H,27,32).
What are the key properties of N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55842278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).