2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide

C26H26FN5O2S — CID 162663846

IUPAC2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC[C@@H]4CCCNC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-34-22-7-3-2-6-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-8-9-19(21(27)11-17)25(33)29-13-16-5-4-10-28-12-16/h2-3,6-9,11,14-16,28H,4-5,10,12-13H2,1H3,(H,29,33)(H,30,31,32)/t16-/m1/s1
InChIKeyUHXLFEKUTMACAU-MRXNPFEDSA-N
MW491.59 g/mol
LogP4.98
Rot. Bonds7

About 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide

2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide (PubChem CID 162663846) has the molecular formula C26H26FN5O2S and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
PubChem CID162663846
Molecular FormulaC26H26FN5O2S
Molecular Weight491.59 g/mol
Exact Mass491.18
IUPAC Name2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC[C@@H]4CCCNC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-34-22-7-3-2-6-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-8-9-19(21(27)11-17)25(33)29-13-16-5-4-10-28-12-16/h2-3,6-9,11,14-16,28H,4-5,10,12-13H2,1H3,(H,29,33)(H,30,31,32)/t16-/m1/s1
InChIKeyUHXLFEKUTMACAU-MRXNPFEDSA-N
XLogP4.98
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide (CID 162663846) is 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC[C@@H]4CCCNC4)c(F)c3)nc12.
What is the InChIKey of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The InChIKey is UHXLFEKUTMACAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-34-22-7-3-2-6-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-8-9-19(21(27)11-17)25(33)29-13-16-5-4-10-28-12-16/h2-3,6-9,11,14-16,28H,4-5,10,12-13H2,1H3,(H,29,33)(H,30,31,32)/t16-/m1/s1.
What are the key properties of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 162663846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).