N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C23H31N7O4S2 — CID 122428072

IUPACN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C23H31N7O4S2/c1-15-17(14-29-6-4-24-5-7-29)20-21(35-15)19(26-23(27-20)30-8-10-34-11-9-30)16-12-18(28-36(3,31)32)22(33-2)25-13-16/h12-13,24,28H,4-11,14H2,1-3H3
InChIKeyALYSBGXGFCYQRA-UHFFFAOYSA-N
MW533.68 g/mol
LogP1.68
Rot. Bonds7

About N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122428072) has the molecular formula C23H31N7O4S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122428072
Molecular FormulaC23H31N7O4S2
Molecular Weight533.68 g/mol
Exact Mass533.19
IUPAC NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C23H31N7O4S2/c1-15-17(14-29-6-4-24-5-7-29)20-21(35-15)19(26-23(27-20)30-8-10-34-11-9-30)16-12-18(28-36(3,31)32)22(33-2)25-13-16/h12-13,24,28H,4-11,14H2,1-3H3
InChIKeyALYSBGXGFCYQRA-UHFFFAOYSA-N
XLogP1.68
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

(14R)-26-methoxy-32-methyl-23,23-dioxo-13-oxa-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one
CID 71041957
2,4-difluoro-N-[2-methoxy-5-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
CID 162371678
26-Methoxy-32-methyl-23,23-dioxo-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 71041778
N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]methanesulfonamide
CID 122178117
2,4-difluoro-N-[2-methoxy-5-(5-methyl-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178118
N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 122178119
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178120
4-cyano-N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178121
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471200
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 141471204
2,4-difluoro-N-[2-methoxy-5-[4-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 141471208
2,4-difluoro-N-[2-methoxy-5-[7-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371654

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122428072) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is ALYSBGXGFCYQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4S2/c1-15-17(14-29-6-4-24-5-7-29)20-21(35-15)19(26-23(27-20)30-8-10-34-11-9-30)16-12-18(28-36(3,31)32)22(33-2)25-13-16/h12-13,24,28H,4-11,14H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 533.68 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).