5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

C23H28N6O3 — CID 121432086

IUPAC5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESC[C@@H]1CC(c2ccc(Nc3[nH]nc(NCc4ccc(O)cc4)c3C(N)=O)cn2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O3/c1-13-9-16(10-14(2)32-13)19-8-5-17(12-25-19)27-23-20(21(24)31)22(28-29-23)26-11-15-3-6-18(30)7-4-15/h3-8,12-14,16,30H,9-11H2,1-2H3,(H2,24,31)(H3,26,27,28,29)/t13-,14+,16?
InChIKeyAADARYKGANDHBO-MZBDJJRSSA-N
MW436.52 g/mol
LogP3.64
Rot. Bonds7

About 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 121432086) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID121432086
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESC[C@@H]1CC(c2ccc(Nc3[nH]nc(NCc4ccc(O)cc4)c3C(N)=O)cn2)C[C@H](C)O1
InChIInChI=1S/C23H28N6O3/c1-13-9-16(10-14(2)32-13)19-8-5-17(12-25-19)27-23-20(21(24)31)22(28-29-23)26-11-15-3-6-18(30)7-4-15/h3-8,12-14,16,30H,9-11H2,1-2H3,(H2,24,31)(H3,26,27,28,29)/t13-,14+,16?
InChIKeyAADARYKGANDHBO-MZBDJJRSSA-N
XLogP3.64
TPSA138.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[5-(4-hydroxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]cyclopropanecarboxamide
CID 168273486
N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-3-yl}pyrazine-2-carboxamide
CID 91887924
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazine-2-carboxamide
CID 99741396
3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)pyridin-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 71765106
3-[(4-fluoro-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 71765521
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
4-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazol-5-yl]phenol
CID 139405772
N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyrazine-2-carboxamide
CID 155106311
5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765105
5-[(4-hydroxyphenyl)methylamino]-3-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765271
3-[(4-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carbonitrile
CID 71765407

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 121432086) is 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is C[C@@H]1CC(c2ccc(Nc3[nH]nc(NCc4ccc(O)cc4)c3C(N)=O)cn2)C[C@H](C)O1.
What is the InChIKey of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is AADARYKGANDHBO-MZBDJJRSSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-13-9-16(10-14(2)32-13)19-8-5-17(12-25-19)27-23-20(21(24)31)22(28-29-23)26-11-15-3-6-18(30)7-4-15/h3-8,12-14,16,30H,9-11H2,1-2H3,(H2,24,31)(H3,26,27,28,29)/t13-,14+,16?.
What are the key properties of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121432086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).