tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

C28H32N6O5 — CID 66548457

IUPACtert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N6O5/c1-28(2,3)39-27(36)34-22(20-16-30-32(4)17-20)12-19-15-29-25(14-23(19)34)31-21-7-6-18(13-24(21)37-5)26(35)33-8-10-38-11-9-33/h6-7,12-17H,8-11H2,1-5H3,(H,29,31)
InChIKeyWWQFZTAFIHRGEO-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.44
Rot. Bonds5

About tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 66548457) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID66548457
Molecular FormulaC28H32N6O5
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC Nametert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N6O5/c1-28(2,3)39-27(36)34-22(20-16-30-32(4)17-20)12-19-15-29-25(14-23(19)34)31-21-7-6-18(13-24(21)37-5)26(35)33-8-10-38-11-9-33/h6-7,12-17H,8-11H2,1-5H3,(H,29,31)
InChIKeyWWQFZTAFIHRGEO-UHFFFAOYSA-N
XLogP4.44
TPSA112.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl 6-(2-acetylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548459
propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66546349
propan-2-yl 6-[4-[(Z)-2-amino-1-[amino(methyl)amino]ethenyl]-2-methoxyanilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 139516124
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-6-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914282
[4-[(4-amino-5-bromopyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 121258187
[4-[[5-chloro-4-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 167428529
[4-[(5-cyclopropyl-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539186
6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914248
tert-butyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 121419241
3-[4-[5-chloro-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazol-1-yl]butanenitrile
CID 156865481
[4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 69088474
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (CID 66548457) is tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is COc1cc(C(=O)N2CCOCC2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is WWQFZTAFIHRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-28(2,3)39-27(36)34-22(20-16-30-32(4)17-20)12-19-15-29-25(14-23(19)34)31-21-7-6-18(13-24(21)37-5)26(35)33-8-10-38-11-9-33/h6-7,12-17H,8-11H2,1-5H3,(H,29,31).
What are the key properties of tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 532.60 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 66548457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).