3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

C26H36N8O2 — CID 121410162

IUPAC3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C26H36N8O2/c1-15(2)33-6-8-34(9-7-33)26-18(5)12-20(14-29-26)30-25-21(23(27)36)24(31-32-25)28-13-19-10-16(3)22(35)17(4)11-19/h10-12,14-15,35H,6-9,13H2,1-5H3,(H2,27,36)(H3,28,30,31,32)
InChIKeyPDVIQUQYMSVQMB-UHFFFAOYSA-N
MW492.63 g/mol
LogP3.42
Rot. Bonds8

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (PubChem CID 121410162) has the molecular formula C26H36N8O2 and a molecular weight of 492.63 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
PubChem CID121410162
Molecular FormulaC26H36N8O2
Molecular Weight492.63 g/mol
Exact Mass492.30
IUPAC Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(Nc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C26H36N8O2/c1-15(2)33-6-8-34(9-7-33)26-18(5)12-20(14-29-26)30-25-21(23(27)36)24(31-32-25)28-13-19-10-16(3)22(35)17(4)11-19/h10-12,14-15,35H,6-9,13H2,1-5H3,(H2,27,36)(H3,28,30,31,32)
InChIKeyPDVIQUQYMSVQMB-UHFFFAOYSA-N
XLogP3.42
TPSA135.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

US11344549, Example 41
CID 165112254
3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)pyridin-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 71765106
3-[(2-Fluoro-4-pyridinyl)amino]-1-[1-[(4-hydroxyphenyl)methyl]-4-methylpiperidin-4-yl]pyrazole-4-carboxamide
CID 89473588
3-[(4-fluoro-3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 89903538
5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765105
3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 71765520
3-[(4-hydroxyphenyl)methylamino]-5-(4-imidazol-1-ylanilino)-1H-pyrazole-4-carboxamide
CID 71765596
5-((3-hydroxybenzylidene)amino)-3-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 86701900
3-[(4-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 89815581
3-[(3-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 89815784
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-methylimidazol-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 89815800
5-((4-hydroxybenzyl)amino)-3-((6-morpholinopyridin-3-yl)amino)-1H-pyrazole-4-carboxamide
CID 89820446

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (CID 121410162) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is Cc1cc(Nc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The InChIKey is PDVIQUQYMSVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O2/c1-15(2)33-6-8-34(9-7-33)26-18(5)12-20(14-29-26)30-25-21(23(27)36)24(31-32-25)28-13-19-10-16(3)22(35)17(4)11-19/h10-12,14-15,35H,6-9,13H2,1-5H3,(H2,27,36)(H3,28,30,31,32).
What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 3.42, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).