N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C38H45BrN12O6S4 — CID 157466752

IUPACN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCN1CCN(Cc2csc3c(-c4cncc(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.CS(=O)(=O)Nc1cncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)c1
InChIInChI=1S/C22H29N7O3S2.C16H16BrN5O3S2/c1-27-3-5-28(6-4-27)14-17-15-33-21-19(16-11-18(13-23-12-16)26-34(2,30)31)24-22(25-20(17)21)29-7-9-32-10-8-29;1-27(23,24)21-11-6-10(7-18-8-11)13-15-14(12(17)9-26-15)20-16(19-13)22-2-4-25-5-3-22/h11-13,15,26H,3-10,14H2,1-2H3;6-9,21H,2-5H2,1H3
InChIKeyBUOLIYYYDLMDSB-UHFFFAOYSA-N
MW974.03 g/mol
LogP4.43
Rot. Bonds10

About N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 157466752) has the molecular formula C38H45BrN12O6S4 and a molecular weight of 974.03 g/mol. Its IUPAC name is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID157466752
Molecular FormulaC38H45BrN12O6S4
Molecular Weight974.03 g/mol
Exact Mass972.17
IUPAC NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCN1CCN(Cc2csc3c(-c4cncc(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.CS(=O)(=O)Nc1cncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)c1
InChIInChI=1S/C22H29N7O3S2.C16H16BrN5O3S2/c1-27-3-5-28(6-4-27)14-17-15-33-21-19(16-11-18(13-23-12-16)26-34(2,30)31)24-22(25-20(17)21)29-7-9-32-10-8-29;1-27(23,24)21-11-6-10(7-18-8-11)13-15-14(12(17)9-26-15)20-16(19-13)22-2-4-25-5-3-22/h11-13,15,26H,3-10,14H2,1-2H3;6-9,21H,2-5H2,1H3
InChIKeyBUOLIYYYDLMDSB-UHFFFAOYSA-N
XLogP4.43
TPSA201.10 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.03
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931723
5-[7-[(4-Methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 71811499
4-Methyl-5-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 71811577
5-[7-[(4-Methylsulfonylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-2-amine
CID 71811578
4-[7-[(4-Methylsulfonylpiperazin-1-yl)methyl]-4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl]morpholine
CID 71811612
2-methyl-N-[5-[7-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N-methylsulfonylpropanamide
CID 122428364
N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428403
5-[7-Methyl-6-[(4-methylsulfonylpiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 24947233
4-(4-morpholino-6-((4-N-methylsulfonylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine
CID 24948355
5-(4-Morpholino-6-(6-(4-methylsulfonylpiperazin-1-yl)pyridin-3-yl)thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109569
N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 52932013

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 157466752) is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is CN1CCN(Cc2csc3c(-c4cncc(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.CS(=O)(=O)Nc1cncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)c1.
What is the InChIKey of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is BUOLIYYYDLMDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3S2.C16H16BrN5O3S2/c1-27-3-5-28(6-4-27)14-17-15-33-21-19(16-11-18(13-23-12-16)26-34(2,30)31)24-22(25-20(17)21)29-7-9-32-10-8-29;1-27(23,24)21-11-6-10(7-18-8-11)13-15-14(12(17)9-26-15)20-16(19-13)22-2-4-25-5-3-22/h11-13,15,26H,3-10,14H2,1-2H3;6-9,21H,2-5H2,1H3.
What are the key properties of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 974.03 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]methanesulfonamide;N-[5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 157466752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).