2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one

C27H26N6O3S — CID 155343090

IUPAC2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one
SMILESCC(C)Oc1cccc(-c2cc(=O)n(-c3nc(N4CCOCC4)c4sc(-c5ccncc5)cc4n3)[nH]2)c1
InChIInChI=1S/C27H26N6O3S/c1-17(2)36-20-5-3-4-19(14-20)21-16-24(34)33(31-21)27-29-22-15-23(18-6-8-28-9-7-18)37-25(22)26(30-27)32-10-12-35-13-11-32/h3-9,14-17,31H,10-13H2,1-2H3
InChIKeyIVRDJBCGAKDBAQ-UHFFFAOYSA-N
MW514.61 g/mol
LogP4.52
Rot. Bonds6

About 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one

2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one (PubChem CID 155343090) has the molecular formula C27H26N6O3S and a molecular weight of 514.61 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one
PubChem CID155343090
Molecular FormulaC27H26N6O3S
Molecular Weight514.61 g/mol
Exact Mass514.18
IUPAC Name2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one
SMILESCC(C)Oc1cccc(-c2cc(=O)n(-c3nc(N4CCOCC4)c4sc(-c5ccncc5)cc4n3)[nH]2)c1
InChIInChI=1S/C27H26N6O3S/c1-17(2)36-20-5-3-4-19(14-20)21-16-24(34)33(31-21)27-29-22-15-23(18-6-8-28-9-7-18)37-25(22)26(30-27)32-10-12-35-13-11-32/h3-9,14-17,31H,10-13H2,1-2H3
InChIKeyIVRDJBCGAKDBAQ-UHFFFAOYSA-N
XLogP4.52
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one with MolForge

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Related Compounds

4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
5-(3-methylphenyl)-2-[4-morpholin-4-yl-7-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]-1H-pyrazol-3-one
CID 168922544
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
4-[2-(1H-indazol-4-yl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593066
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
tert-butyl N-[4-[3-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutan-2-yl]carbamate
CID 131728570
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
(Z)-4-(methylamino)-4-(3-methylphenyl)but-3-en-2-one;4-(2-methyl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 155732917
4-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)aniline
CID 59829352
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032486
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] butanoate
CID 154618056
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one (CID 155343090) is 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one is CC(C)Oc1cccc(-c2cc(=O)n(-c3nc(N4CCOCC4)c4sc(-c5ccncc5)cc4n3)[nH]2)c1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one?
The InChIKey is IVRDJBCGAKDBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3S/c1-17(2)36-20-5-3-4-19(14-20)21-16-24(34)33(31-21)27-29-22-15-23(18-6-8-28-9-7-18)37-25(22)26(30-27)32-10-12-35-13-11-32/h3-9,14-17,31H,10-13H2,1-2H3.
What are the key properties of 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one?
2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one has a molecular weight of 514.61 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 155343090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).