4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide

C25H32N6O3S — CID 156579435

IUPAC4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide
SMILESC[C@@H]1COCCN1c1cc(C2=CCS(=O)CC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2C
InChIInChI=1S/C25H32N6O3S/c1-17-16-33-12-10-30(17)21-15-19(18-7-13-35(32)14-8-18)25-24(27-21)23(28-29(25)2)20-6-9-26-31(20)22-5-3-4-11-34-22/h6-7,9,15,17,22H,3-5,8,10-14,16H2,1-2H3/t17-,22?,35?/m1/s1
InChIKeyPPJSDFGSPZJWNR-PTLOOSRRSA-N
MW496.64 g/mol
LogP3.29
Rot. Bonds4

About 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide

4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 156579435) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID156579435
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide
SMILESC[C@@H]1COCCN1c1cc(C2=CCS(=O)CC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2C
InChIInChI=1S/C25H32N6O3S/c1-17-16-33-12-10-30(17)21-15-19(18-7-13-35(32)14-8-18)25-24(27-21)23(28-29(25)2)20-6-9-26-31(20)22-5-3-4-11-34-22/h6-7,9,15,17,22H,3-5,8,10-14,16H2,1-2H3/t17-,22?,35?/m1/s1
InChIKeyPPJSDFGSPZJWNR-PTLOOSRRSA-N
XLogP3.29
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688153
(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118890587
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020381
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688179

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide (CID 156579435) is 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide is C[C@@H]1COCCN1c1cc(C2=CCS(=O)CC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2C.
What is the InChIKey of 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is PPJSDFGSPZJWNR-PTLOOSRRSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-17-16-33-12-10-30(17)21-15-19(18-7-13-35(32)14-8-18)25-24(27-21)23(28-29(25)2)20-6-9-26-31(20)22-5-3-4-11-34-22/h6-7,9,15,17,22H,3-5,8,10-14,16H2,1-2H3/t17-,22?,35?/m1/s1.
What are the key properties of 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide?
4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 496.64 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 156579435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).