4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole

C32H19N9O2 — CID 141223561

IUPAC4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2c(-c3cc[nH]n3)c(-c3cc4ccccn4n3)c(-c3n[nH]c4ccccc34)c3nc(-c4ncco4)oc23)nc1
InChIInChI=1S/C32H19N9O2/c1-2-9-20-19(8-1)28(39-38-20)27-25(23-17-18-7-4-6-15-41(18)40-23)24(22-11-13-35-37-22)26(21-10-3-5-12-33-21)30-29(27)36-32(43-30)31-34-14-16-42-31/h1-17H,(H,35,37)(H,38,39)
InChIKeyFMPPTTIKFVYMRP-UHFFFAOYSA-N
MW561.57 g/mol
LogP6.79
Rot. Bonds5

About 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole

4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole (PubChem CID 141223561) has the molecular formula C32H19N9O2 and a molecular weight of 561.57 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole
PubChem CID141223561
Molecular FormulaC32H19N9O2
Molecular Weight561.57 g/mol
Exact Mass561.17
IUPAC Name4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2c(-c3cc[nH]n3)c(-c3cc4ccccn4n3)c(-c3n[nH]c4ccccc34)c3nc(-c4ncco4)oc23)nc1
InChIInChI=1S/C32H19N9O2/c1-2-9-20-19(8-1)28(39-38-20)27-25(23-17-18-7-4-6-15-41(18)40-23)24(22-11-13-35-37-22)26(21-10-3-5-12-33-21)30-29(27)36-32(43-30)31-34-14-16-42-31/h1-17H,(H,35,37)(H,38,39)
InChIKeyFMPPTTIKFVYMRP-UHFFFAOYSA-N
XLogP6.79
TPSA139.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.57
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole with MolForge

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Related Compounds

methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158969106
6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 159387642
6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;6-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 161969971
4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
CID 164907385
4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
CID 164907414
4-cyclopropyl-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide;7-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-1H-indazole-5-carboxamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-propoxypyridine-2-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 167695586
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-oxazol-2-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283463
N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(6-methyl-1H-indazol-5-yl)furo[3,2-b]pyridin-7-yl]benzamide
CID 89767031
2-[2-(1,3-oxazol-2-yl)-4-piperazin-1-yl-6-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)phenyl]-1,3-benzoxazole
CID 140970769
3-[4-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)-1-quinolin-2-ylisoquinolin-5-yl]-5-(1,3-oxazol-2-yl)-1,2-oxazole
CID 141034243
2-(1H-indazol-3-yl)-5-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyridin-2-yl-6-quinolin-2-yl-3H-1,3-benzoxazole
CID 141156737
2-[6-(3H-benzo[e]indazol-1-yl)-5-(oxadiazol-4-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-b]pyridin-7-yl]benzo[e][1,3]benzoxazole
CID 141190427

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole (CID 141223561) is 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole is c1ccc(-c2c(-c3cc[nH]n3)c(-c3cc4ccccn4n3)c(-c3n[nH]c4ccccc34)c3nc(-c4ncco4)oc23)nc1.
What is the InChIKey of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is FMPPTTIKFVYMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N9O2/c1-2-9-20-19(8-1)28(39-38-20)27-25(23-17-18-7-4-6-15-41(18)40-23)24(22-11-13-35-37-22)26(21-10-3-5-12-33-21)30-29(27)36-32(43-30)31-34-14-16-42-31/h1-17H,(H,35,37)(H,38,39).
What are the key properties of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole?
4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 561.57 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-pyrazolo[1,5-a]pyridin-2-yl-6-(1H-pyrazol-3-yl)-7-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 141223561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).