4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

C26H28FN7O — CID 142464128

IUPAC4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CC7C[C@@H]6CN7)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O/c1-35-25-9-21-20(2-5-28-24(21)10-23(25)27)22-13-31-34-15-19(12-30-26(22)34)32-6-3-17(4-7-32)33-14-16-8-18(33)11-29-16/h2,5,9-10,12-13,15-18,29H,3-4,6-8,11,14H2,1H3/t16?,18-/m1/s1
InChIKeyLOXVSHZARUWZDL-UHUGOGIASA-N
MW473.56 g/mol
LogP3.11
Rot. Bonds4

About 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (PubChem CID 142464128) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.

Molecular Properties

Compound Name4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
PubChem CID142464128
Molecular FormulaC26H28FN7O
Molecular Weight473.56 g/mol
Exact Mass473.23
IUPAC Name4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CC7C[C@@H]6CN7)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H28FN7O/c1-35-25-9-21-20(2-5-28-24(21)10-23(25)27)22-13-31-34-15-19(12-30-26(22)34)32-6-3-17(4-7-32)33-14-16-8-18(33)11-29-16/h2,5,9-10,12-13,15-18,29H,3-4,6-8,11,14H2,1H3/t16?,18-/m1/s1
InChIKeyLOXVSHZARUWZDL-UHUGOGIASA-N
XLogP3.11
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline with MolForge

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Related Compounds

4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471801
Ker-047
CID 142464264
N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168279197
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160287
6-[(1S)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 44181148

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?
The IUPAC name of 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (CID 142464128) is 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.
What is the SMILES notation for 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?
The canonical SMILES for 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CC7C[C@@H]6CN7)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?
The InChIKey is LOXVSHZARUWZDL-UHUGOGIASA-N. The full InChI is InChI=1S/C26H28FN7O/c1-35-25-9-21-20(2-5-28-24(21)10-23(25)27)22-13-31-34-15-19(12-30-26(22)34)32-6-3-17(4-7-32)33-14-16-8-18(33)11-29-16/h2,5,9-10,12-13,15-18,29H,3-4,6-8,11,14H2,1H3/t16?,18-/m1/s1.
What are the key properties of 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?
4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline has a molecular weight of 473.56 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is sourced from PubChem (CID 142464128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).