7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H22FN5O4S — CID 118610755

IUPAC7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(F)c(S(=O)(=O)c2c(N)[nH]c3c(N4CCOC(C)C4)nc(C)nc23)c1
InChIInChI=1S/C19H22FN5O4S/c1-10-9-25(6-7-29-10)19-16-15(22-11(2)23-19)17(18(21)24-16)30(26,27)14-8-12(28-3)4-5-13(14)20/h4-5,8,10,24H,6-7,9,21H2,1-3H3
InChIKeyQWLHINHQBWQCCE-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.05
Rot. Bonds4

About 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610755) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610755
Molecular FormulaC19H22FN5O4S
Molecular Weight435.48 g/mol
Exact Mass435.14
IUPAC Name7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(F)c(S(=O)(=O)c2c(N)[nH]c3c(N4CCOC(C)C4)nc(C)nc23)c1
InChIInChI=1S/C19H22FN5O4S/c1-10-9-25(6-7-29-10)19-16-15(22-11(2)23-19)17(18(21)24-16)30(26,27)14-8-12(28-3)4-5-13(14)20/h4-5,8,10,24H,6-7,9,21H2,1-3H3
InChIKeyQWLHINHQBWQCCE-UHFFFAOYSA-N
XLogP2.05
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10059713, Example 187
CID 118615810
US10059713, Example 282
CID 118610671
US10059713, Example 280
CID 118610758
US10059713, Example 298
CID 129187076
US10059713, Example 290
CID 129199197
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
CID 134455336
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxyethoxy)pyridine-2-carbonitrile
CID 134455338
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
CID 134455545
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-ethoxypyridine-2-carbonitrile
CID 134455548
3-ethoxy-6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455549
US10059713, Example 296
CID 118610526
US10059713, Example 293
CID 118610532

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610755) is 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(F)c(S(=O)(=O)c2c(N)[nH]c3c(N4CCOC(C)C4)nc(C)nc23)c1.
What is the InChIKey of 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is QWLHINHQBWQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4S/c1-10-9-25(6-7-29-10)19-16-15(22-11(2)23-19)17(18(21)24-16)30(26,27)14-8-12(28-3)4-5-13(14)20/h4-5,8,10,24H,6-7,9,21H2,1-3H3.
What are the key properties of 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 435.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methyl-4-(2-methylmorpholin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).