5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one

C33H32N8O4 — CID 167134791

IUPAC5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one
SMILESCOc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C4CC4)cn([C@@H]4CC[C@H]4OCc4ccccc4)c3=O)n(C)c12
InChIInChI=1S/C33H32N8O4/c1-39-29-30(43-2)28(45-27-17-36-41-13-12-34-15-25(27)41)16-35-31(29)38-33(39)37-23-14-22(21-8-9-21)18-40(32(23)42)24-10-11-26(24)44-19-20-6-4-3-5-7-20/h3-7,12-18,21,24,26H,8-11,19H2,1-2H3,(H,35,37,38)/t24-,26-/m1/s1
InChIKeyQEXGPQGELULPCV-AOYPEHQESA-N
MW604.67 g/mol
LogP5.51
Rot. Bonds10

About 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one

5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one (PubChem CID 167134791) has the molecular formula C33H32N8O4 and a molecular weight of 604.67 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one
PubChem CID167134791
Molecular FormulaC33H32N8O4
Molecular Weight604.67 g/mol
Exact Mass604.25
IUPAC Name5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one
SMILESCOc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C4CC4)cn([C@@H]4CC[C@H]4OCc4ccccc4)c3=O)n(C)c12
InChIInChI=1S/C33H32N8O4/c1-39-29-30(43-2)28(45-27-17-36-41-13-12-34-15-25(27)41)16-35-31(29)38-33(39)37-23-14-22(21-8-9-21)18-40(32(23)42)24-10-11-26(24)44-19-20-6-4-3-5-7-20/h3-7,12-18,21,24,26H,8-11,19H2,1-2H3,(H,35,37,38)/t24-,26-/m1/s1
InChIKeyQEXGPQGELULPCV-AOYPEHQESA-N
XLogP5.51
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one (CID 167134791) is 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one is COc1c(Oc2cnn3ccncc23)cnc2nc(Nc3cc(C4CC4)cn([C@@H]4CC[C@H]4OCc4ccccc4)c3=O)n(C)c12.
What is the InChIKey of 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one?
The InChIKey is QEXGPQGELULPCV-AOYPEHQESA-N. The full InChI is InChI=1S/C33H32N8O4/c1-39-29-30(43-2)28(45-27-17-36-41-13-12-34-15-25(27)41)16-35-31(29)38-33(39)37-23-14-22(21-8-9-21)18-40(32(23)42)24-10-11-26(24)44-19-20-6-4-3-5-7-20/h3-7,12-18,21,24,26H,8-11,19H2,1-2H3,(H,35,37,38)/t24-,26-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one?
5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one has a molecular weight of 604.67 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one is sourced from PubChem (CID 167134791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).