5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C33H32F6N8O — CID 89483537

IUPAC5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)cc12
InChIInChI=1S/C33H32F6N8O/c1-19-27-11-23(29(42-30(27)45(2)43-19)46(15-20-3-4-20)16-21-5-6-21)18-47(31-40-13-24(14-41-31)28-7-8-48-44-28)17-22-9-25(32(34,35)36)12-26(10-22)33(37,38)39/h7-14,20-21H,3-6,15-18H2,1-2H3
InChIKeyWNSQSFXJJUQBBA-UHFFFAOYSA-N
MW670.66 g/mol
LogP7.59
Rot. Bonds11

About 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 89483537) has the molecular formula C33H32F6N8O and a molecular weight of 670.66 g/mol. Its IUPAC name is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID89483537
Molecular FormulaC33H32F6N8O
Molecular Weight670.66 g/mol
Exact Mass670.26
IUPAC Name5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)cc12
InChIInChI=1S/C33H32F6N8O/c1-19-27-11-23(29(42-30(27)45(2)43-19)46(15-20-3-4-20)16-21-5-6-21)18-47(31-40-13-24(14-41-31)28-7-8-48-44-28)17-22-9-25(32(34,35)36)12-26(10-22)33(37,38)39/h7-14,20-21H,3-6,15-18H2,1-2H3
InChIKeyWNSQSFXJJUQBBA-UHFFFAOYSA-N
XLogP7.59
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.66
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 89483537) is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)cc12.
What is the InChIKey of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is WNSQSFXJJUQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F6N8O/c1-19-27-11-23(29(42-30(27)45(2)43-19)46(15-20-3-4-20)16-21-5-6-21)18-47(31-40-13-24(14-41-31)28-7-8-48-44-28)17-22-9-25(32(34,35)36)12-26(10-22)33(37,38)39/h7-14,20-21H,3-6,15-18H2,1-2H3.
What are the key properties of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 670.66 g/mol, XLogP of 7.59, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 89483537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).