1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol

C24H25F2N7O — CID 134326799

IUPAC1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol
SMILESCNCc1cc(F)c(-c2ncc3[nH]nc(-c4ccc(N5CCC(C)(O)CC5)nc4)c3n2)c(F)c1
InChIInChI=1S/C24H25F2N7O/c1-24(34)5-7-33(8-6-24)19-4-3-15(12-28-19)21-22-18(31-32-21)13-29-23(30-22)20-16(25)9-14(11-27-2)10-17(20)26/h3-4,9-10,12-13,27,34H,5-8,11H2,1-2H3,(H,31,32)
InChIKeyOANIYHMBXOLMNW-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.43
Rot. Bonds5

About 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol

1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol (PubChem CID 134326799) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol
PubChem CID134326799
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol
SMILESCNCc1cc(F)c(-c2ncc3[nH]nc(-c4ccc(N5CCC(C)(O)CC5)nc4)c3n2)c(F)c1
InChIInChI=1S/C24H25F2N7O/c1-24(34)5-7-33(8-6-24)19-4-3-15(12-28-19)21-22-18(31-32-21)13-29-23(30-22)20-16(25)9-14(11-27-2)10-17(20)26/h3-4,9-10,12-13,27,34H,5-8,11H2,1-2H3,(H,31,32)
InChIKeyOANIYHMBXOLMNW-UHFFFAOYSA-N
XLogP3.43
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 134327160
1-[4-[5-[5-[2-fluoro-4-(methylaminomethyl)-6-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 134326859
1-[3-fluoro-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 134327890
1-[3,5-difluoro-4-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 134327802
3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134327006
1-[4-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 175820235
2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetic acid
CID 155281171
N-ethyl-6-[5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-N-methylpyridin-2-amine
CID 134328263
3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134326602
4-methyl-1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azepan-4-ol
CID 107405429
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
1-[4-[4-ethyl-3-(4-piperidin-4-ylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3,5-difluorophenyl]-N-methylmethanamine
CID 142302939

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol (CID 134326799) is 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol is CNCc1cc(F)c(-c2ncc3[nH]nc(-c4ccc(N5CCC(C)(O)CC5)nc4)c3n2)c(F)c1.
What is the InChIKey of 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The InChIKey is OANIYHMBXOLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O/c1-24(34)5-7-33(8-6-24)19-4-3-15(12-28-19)21-22-18(31-32-21)13-29-23(30-22)20-16(25)9-14(11-27-2)10-17(20)26/h3-4,9-10,12-13,27,34H,5-8,11H2,1-2H3,(H,31,32).
What are the key properties of 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol?
1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol has a molecular weight of 465.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 134326799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).