3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol

C43H48N8O2 — CID 135344633

IUPAC3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol
SMILESCc1ccc(CN(Cc2ccc(C)c(C)c2)c2nc(-c3cnccc3C)cc3cc(Nc4cnn(C5CN(C6COC6)CCC5O)c4)ncc23)cc1C
InChIInChI=1S/C43H48N8O2/c1-27-6-8-32(14-30(27)4)21-50(22-33-9-7-28(2)31(5)15-33)43-38-20-45-42(17-34(38)16-39(48-43)37-19-44-12-10-29(37)3)47-35-18-46-51(23-35)40-24-49(13-11-41(40)52)36-25-53-26-36/h6-10,12,14-20,23,36,40-41,52H,11,13,21-22,24-26H2,1-5H3,(H,45,47)
InChIKeyCJWYUSFVFBMLNH-UHFFFAOYSA-N
MW708.91 g/mol
LogP7.39
Rot. Bonds10

About 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol

3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol (PubChem CID 135344633) has the molecular formula C43H48N8O2 and a molecular weight of 708.91 g/mol. Its IUPAC name is 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol
PubChem CID135344633
Molecular FormulaC43H48N8O2
Molecular Weight708.91 g/mol
Exact Mass708.39
IUPAC Name3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol
SMILESCc1ccc(CN(Cc2ccc(C)c(C)c2)c2nc(-c3cnccc3C)cc3cc(Nc4cnn(C5CN(C6COC6)CCC5O)c4)ncc23)cc1C
InChIInChI=1S/C43H48N8O2/c1-27-6-8-32(14-30(27)4)21-50(22-33-9-7-28(2)31(5)15-33)43-38-20-45-42(17-34(38)16-39(48-43)37-19-44-12-10-29(37)3)47-35-18-46-51(23-35)40-24-49(13-11-41(40)52)36-25-53-26-36/h6-10,12,14-20,23,36,40-41,52H,11,13,21-22,24-26H2,1-5H3,(H,45,47)
InChIKeyCJWYUSFVFBMLNH-UHFFFAOYSA-N
XLogP7.39
TPSA104.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol with MolForge

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Related Compounds

N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 132056739
1-(4-[[8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 135344363
2-[4-[[8-Amino-6-(4-methyl-3-pyridyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol
CID 135344500
2-(4-[[8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-1H-pyrazol-1-yl)-2-methylpropan-1-ol
CID 135345050
(trans)-3-(4-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-ylamino)-1H-pyrazol-1-yl)-1-(oxetan-3-yl)piperidin-4-ol
CID 135345306
(trans)-4-(4-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-ylamino)-1H-pyrazol-1-yl)-1-(oxetan-3-yl)piperidin-3-ol
CID 135345379
2-(4-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-ylamino)-1H-pyrazol-1-yl)propan-1-ol
CID 139468791
4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 169265884
(3S)-3-[[5-amino-1-[[5-[(oxan-4-ylamino)methyl]quinolin-8-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 170154639
4-[(trans)-2,5-dimethylpiperazin-1-yl]-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869131
(1-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl}piperidin-4-yl)methanol
CID 118869228
US10772893, Example 170
CID 118869266

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol?
The IUPAC name of 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol (CID 135344633) is 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol.
What is the SMILES notation for 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol?
The canonical SMILES for 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol is Cc1ccc(CN(Cc2ccc(C)c(C)c2)c2nc(-c3cnccc3C)cc3cc(Nc4cnn(C5CN(C6COC6)CCC5O)c4)ncc23)cc1C.
What is the InChIKey of 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol?
The InChIKey is CJWYUSFVFBMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N8O2/c1-27-6-8-32(14-30(27)4)21-50(22-33-9-7-28(2)31(5)15-33)43-38-20-45-42(17-34(38)16-39(48-43)37-19-44-12-10-29(37)3)47-35-18-46-51(23-35)40-24-49(13-11-41(40)52)36-25-53-26-36/h6-10,12,14-20,23,36,40-41,52H,11,13,21-22,24-26H2,1-5H3,(H,45,47).
What are the key properties of 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol?
3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol has a molecular weight of 708.91 g/mol, XLogP of 7.39, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[8-[bis[(3,4-dimethylphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol is sourced from PubChem (CID 135344633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).