[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone

C26H25FN8O2 — CID 169163250

IUPAC[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5cccc(F)c5o4)cnn3c2)CC1
InChIInChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-21-17(13-30-35(21)14-16)26(36)34-8-7-19-22(29-15-28-19)23(34)25-31-20-4-2-3-18(27)24(20)37-25/h2-6,13-15,23H,7-12H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyXWMCCPCOSMBGRN-QHCPKHFHSA-N
MW500.54 g/mol
LogP2.88
Rot. Bonds3

About [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone

[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169163250) has the molecular formula C26H25FN8O2 and a molecular weight of 500.54 g/mol. Its IUPAC name is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169163250
Molecular FormulaC26H25FN8O2
Molecular Weight500.54 g/mol
Exact Mass500.21
IUPAC Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5cccc(F)c5o4)cnn3c2)CC1
InChIInChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-21-17(13-30-35(21)14-16)26(36)34-8-7-19-22(29-15-28-19)23(34)25-31-20-4-2-3-18(27)24(20)37-25/h2-6,13-15,23H,7-12H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeyXWMCCPCOSMBGRN-QHCPKHFHSA-N
XLogP2.88
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone 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

3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
6-(1-methylpyrazol-4-yl)-1'-[2-(1-methylpyrazol-3-yl)-3H-benzimidazole-5-carbonyl]spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 136164076
N-[4-(1,3-benzoxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311694
1-[4-[4-[7-Amino-2-(1-methylpyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760160
6-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 118224427
N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 118224451
4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 71454074
6-[5-(Methylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681579
1-[4-[4-(7-Amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 53379264
US9999619, Example 137
CID 67390342
US10695337, Example 137
CID 67391719
N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188293

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169163250) is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is CN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5cccc(F)c5o4)cnn3c2)CC1.
What is the InChIKey of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is XWMCCPCOSMBGRN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-21-17(13-30-35(21)14-16)26(36)34-8-7-19-22(29-15-28-19)23(34)25-31-20-4-2-3-18(27)24(20)37-25/h2-6,13-15,23H,7-12H2,1H3,(H,28,29)/t23-/m0/s1.
What are the key properties of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 500.54 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169163250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).