1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

C25H31N7O3 — CID 85472030

IUPAC1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C25H31N7O3/c1-16(2)32-25-22(13-29-32)24(31(4)18-10-27-15-28-11-18)9-23(30-25)17-6-20(34-5)8-21(7-17)35-14-19(33)12-26-3/h6-11,13,15-16,19,26,33H,12,14H2,1-5H3
InChIKeyMUTBDKKHVQGMNS-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.20
Rot. Bonds10

About 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 85472030) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID85472030
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C25H31N7O3/c1-16(2)32-25-22(13-29-32)24(31(4)18-10-27-15-28-11-18)9-23(30-25)17-6-20(34-5)8-21(7-17)35-14-19(33)12-26-3/h6-11,13,15-16,19,26,33H,12,14H2,1-5H3
InChIKeyMUTBDKKHVQGMNS-UHFFFAOYSA-N
XLogP3.20
TPSA110.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 85472030) is 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(OC)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is MUTBDKKHVQGMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-16(2)32-25-22(13-29-32)24(31(4)18-10-27-15-28-11-18)9-23(30-25)17-6-20(34-5)8-21(7-17)35-14-19(33)12-26-3/h6-11,13,15-16,19,26,33H,12,14H2,1-5H3.
What are the key properties of 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 477.57 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 85472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).