3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

C29H40N8O2 — CID 145112236

IUPAC3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C29H40N8O2/c1-18(2)23-15-20(14-19(3)26(23)38)16-32-28-25(27(30)39)29(35-34-28)33-21-6-7-24(31-17-21)37-12-8-22(9-13-37)36-10-4-5-11-36/h6-7,14-15,17-18,22,38H,4-5,8-13,16H2,1-3H3,(H2,30,39)(H3,32,33,34,35)
InChIKeyVHCCXYPCCXZTKP-UHFFFAOYSA-N
MW532.69 g/mol
LogP4.46
Rot. Bonds9

About 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (PubChem CID 145112236) has the molecular formula C29H40N8O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
PubChem CID145112236
Molecular FormulaC29H40N8O2
Molecular Weight532.69 g/mol
Exact Mass532.33
IUPAC Name3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C29H40N8O2/c1-18(2)23-15-20(14-19(3)26(23)38)16-32-28-25(27(30)39)29(35-34-28)33-21-6-7-24(31-17-21)37-12-8-22(9-13-37)36-10-4-5-11-36/h6-7,14-15,17-18,22,38H,4-5,8-13,16H2,1-3H3,(H2,30,39)(H3,32,33,34,35)
InChIKeyVHCCXYPCCXZTKP-UHFFFAOYSA-N
XLogP4.46
TPSA135.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 54.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]-5-[[6-(trifluoromethyl)pyridin-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 71765106
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-[(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
3-[(4-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 89820490
5-[(2-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 89820508
3-[(4-hydroxyphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
CID 89820512
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 89820514

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (CID 145112236) is 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Nc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc(C(C)C)c1O.
What is the InChIKey of 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
The InChIKey is VHCCXYPCCXZTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N8O2/c1-18(2)23-15-20(14-19(3)26(23)38)16-32-28-25(27(30)39)29(35-34-28)33-21-6-7-24(31-17-21)37-12-8-22(9-13-37)36-10-4-5-11-36/h6-7,14-15,17-18,22,38H,4-5,8-13,16H2,1-3H3,(H2,30,39)(H3,32,33,34,35).
What are the key properties of 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 4.46, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 145112236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).