2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one

C23H18N4O2 — CID 155012450

IUPAC2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one
SMILESCC(c1oc2ccccc2c(=O)c1-c1ccccc1)n1ncc2c(N)cncc21
InChIInChI=1S/C23H18N4O2/c1-14(27-19-13-25-12-18(24)17(19)11-26-27)23-21(15-7-3-2-4-8-15)22(28)16-9-5-6-10-20(16)29-23/h2-14H,24H2,1H3
InChIKeyAPPRHBAOLKEJKV-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.40
Rot. Bonds3

About 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one

2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one (PubChem CID 155012450) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one
PubChem CID155012450
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one
SMILESCC(c1oc2ccccc2c(=O)c1-c1ccccc1)n1ncc2c(N)cncc21
InChIInChI=1S/C23H18N4O2/c1-14(27-19-13-25-12-18(24)17(19)11-26-27)23-21(15-7-3-2-4-8-15)22(28)16-9-5-6-10-20(16)29-23/h2-14H,24H2,1H3
InChIKeyAPPRHBAOLKEJKV-UHFFFAOYSA-N
XLogP4.40
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-3-phenyl-2-[1-(4-propylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]chromen-4-one
CID 123597768
2-(1-bromoethyl)-3-(4-fluorophenyl)chromen-4-one
CID 53234761
2-[1-[4-amino-3-(1,3-dimethylindazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 53235090
2-[1-[4-amino-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 53235235
2-(4-oxo-3-phenylchromen-2-yl)but-3-enoic acid
CID 68641528
2-[1-[4-amino-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 58269117
2-[(1R)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 72706820
2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 90029858
3-[4-amino-1-[1-[3-(3-fluorophenyl)-4-oxochromen-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-cyclopropylbenzamide
CID 53235086
2-tert-butyl-3-phenylchromen-4-one
CID 159840015
2-[1-[4-(dimethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 71465908
3-[1-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)isochromen-1-one
CID 118131024

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one?
The IUPAC name of 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one (CID 155012450) is 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one.
What is the SMILES notation for 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one?
The canonical SMILES for 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one is CC(c1oc2ccccc2c(=O)c1-c1ccccc1)n1ncc2c(N)cncc21.
What is the InChIKey of 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one?
The InChIKey is APPRHBAOLKEJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14(27-19-13-25-12-18(24)17(19)11-26-27)23-21(15-7-3-2-4-8-15)22(28)16-9-5-6-10-20(16)29-23/h2-14H,24H2,1H3.
What are the key properties of 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one?
2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one has a molecular weight of 382.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopyrazolo[5,4-c]pyridin-1-yl)ethyl]-3-phenylchromen-4-one is sourced from PubChem (CID 155012450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).