(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C24H25N7OS — CID 164581419

IUPAC(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nn(C)c(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cncc4[nH]ccc34)nc12
InChIInChI=1S/C24H25N7OS/c1-13-11-32-8-7-31(13)24-22-21(18(12-33-22)20-14(2)29-30(4)15(20)3)27-23(28-24)17-9-25-10-19-16(17)5-6-26-19/h5-6,9-10,12-13,26H,7-8,11H2,1-4H3/t13-/m1/s1
InChIKeyWHTSYLZYCWAJJP-CYBMUJFWSA-N
MW459.58 g/mol
LogP4.48
Rot. Bonds3

About (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 164581419) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID164581419
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nn(C)c(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cncc4[nH]ccc34)nc12
InChIInChI=1S/C24H25N7OS/c1-13-11-32-8-7-31(13)24-22-21(18(12-33-22)20-14(2)29-30(4)15(20)3)27-23(28-24)17-9-25-10-19-16(17)5-6-26-19/h5-6,9-10,12-13,26H,7-8,11H2,1-4H3/t13-/m1/s1
InChIKeyWHTSYLZYCWAJJP-CYBMUJFWSA-N
XLogP4.48
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581389
(3R)-4-[7-(1,4-dimethylpyrazol-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581564
6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-amine
CID 137417744
(3R)-3-methyl-4-[7-methylsulfonyl-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 168874303
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
(3R)-3-methyl-4-[7-pyridin-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 175865159
(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
CID 167270367
(3R)-3-methyl-4-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164581572
(3R)-4-[2-(1H-indol-4-yl)-6-(3-methylimidazol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965702
CID 167642033
CID 167642033
(3R)-3-methyl-4-[7-(pyrazol-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164581561
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376118

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 164581419) is (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1nn(C)c(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cncc4[nH]ccc34)nc12.
What is the InChIKey of (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is WHTSYLZYCWAJJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-13-11-32-8-7-31(13)24-22-21(18(12-33-22)20-14(2)29-30(4)15(20)3)27-23(28-24)17-9-25-10-19-16(17)5-6-26-19/h5-6,9-10,12-13,26H,7-8,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 459.58 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 164581419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).