N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide

C23H18FN5O3 — CID 162647201

IUPACN-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12
InChIInChI=1S/C23H18FN5O3/c1-3-20(30)25-18-7-5-4-6-14(18)23(31)27-22-15-9-11-19(26-21(15)28-29-22)16-12-13(32-2)8-10-17(16)24/h3-12H,1H2,2H3,(H,25,30)(H2,26,27,28,29,31)
InChIKeyXBJSSHAYDMFKEU-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.15
Rot. Bonds6

About N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162647201) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162647201
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12
InChIInChI=1S/C23H18FN5O3/c1-3-20(30)25-18-7-5-4-6-14(18)23(31)27-22-15-9-11-19(26-21(15)28-29-22)16-12-13(32-2)8-10-17(16)24/h3-12H,1H2,2H3,(H,25,30)(H2,26,27,28,29,31)
InChIKeyXBJSSHAYDMFKEU-UHFFFAOYSA-N
XLogP4.15
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162660019
3-(2-amino-1-bromo-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175096939
3-(2-amino-1-chloro-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175103815
2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 162674383
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
(E)-4-[2-[(4-methoxyphenyl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 851884
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
CID 166420649
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 121148552

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162647201) is N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12.
What is the InChIKey of N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is XBJSSHAYDMFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-3-20(30)25-18-7-5-4-6-14(18)23(31)27-22-15-9-11-19(26-21(15)28-29-22)16-12-13(32-2)8-10-17(16)24/h3-12H,1H2,2H3,(H,25,30)(H2,26,27,28,29,31).
What are the key properties of N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 431.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-5-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).