1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone

C35H43FN8O3 — CID 144859340

IUPAC1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(-c3cc(O)cc(CN4CCC(NC5CCCC5)CC4)c3)c2F)C1
InChIInChI=1S/C35H43FN8O3/c36-32-33(24-16-23(17-28(46)18-24)20-42-14-10-26(11-15-42)38-25-6-1-2-7-25)40-34(29-19-37-44-13-4-3-9-30(29)44)41-35(32)39-27-8-5-12-43(21-27)31(47)22-45/h3-4,9,13,16-19,25-27,38,45-46H,1-2,5-8,10-12,14-15,20-22H2,(H,39,40,41)/t27-/m1/s1
InChIKeyAYYSNPANUCHWRM-HHHXNRCGSA-N
MW642.78 g/mol
LogP4.19
Rot. Bonds9

About 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone

1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 144859340) has the molecular formula C35H43FN8O3 and a molecular weight of 642.78 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
PubChem CID144859340
Molecular FormulaC35H43FN8O3
Molecular Weight642.78 g/mol
Exact Mass642.34
IUPAC Name1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(-c3cc(O)cc(CN4CCC(NC5CCCC5)CC4)c3)c2F)C1
InChIInChI=1S/C35H43FN8O3/c36-32-33(24-16-23(17-28(46)18-24)20-42-14-10-26(11-15-42)38-25-6-1-2-7-25)40-34(29-19-37-44-13-4-3-9-30(29)44)41-35(32)39-27-8-5-12-43(21-27)31(47)22-45/h3-4,9,13,16-19,25-27,38,45-46H,1-2,5-8,10-12,14-15,20-22H2,(H,39,40,41)/t27-/m1/s1
InChIKeyAYYSNPANUCHWRM-HHHXNRCGSA-N
XLogP4.19
TPSA131.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.78
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 118572891
2-[3-(3-Hydroxy-5-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726569
2-[3-(3-Hydroxy-5-methylphenyl)-4-[6-(3-morpholin-4-ylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726570
US10759793, Example 17
CID 118140507
US10759793, Example 88
CID 124125755
US10759793, Example 89
CID 124125756
US10759793, Example 37
CID 124125758
US10759793, Example 78
CID 124125778
US10759793, Example 84
CID 124125780
US10759793, Example 85
CID 124125793
US10759793, Example 23
CID 134587611
3-[4-[6-(4-Hydroxybutylamino)-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-3-yl]-5-methylphenol
CID 118706429

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone (CID 144859340) is 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCC[C@@H](Nc2nc(-c3cnn4ccccc34)nc(-c3cc(O)cc(CN4CCC(NC5CCCC5)CC4)c3)c2F)C1.
What is the InChIKey of 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is AYYSNPANUCHWRM-HHHXNRCGSA-N. The full InChI is InChI=1S/C35H43FN8O3/c36-32-33(24-16-23(17-28(46)18-24)20-42-14-10-26(11-15-42)38-25-6-1-2-7-25)40-34(29-19-37-44-13-4-3-9-30(29)44)41-35(32)39-27-8-5-12-43(21-27)31(47)22-45/h3-4,9,13,16-19,25-27,38,45-46H,1-2,5-8,10-12,14-15,20-22H2,(H,39,40,41)/t27-/m1/s1.
What are the key properties of 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone?
1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 642.78 g/mol, XLogP of 4.19, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[6-[3-[[4-(cyclopentylamino)piperidin-1-yl]methyl]-5-hydroxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 144859340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).