4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine

C28H31FN6S — CID 164709797

IUPAC4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12
InChIInChI=1S/C28H31FN6S/c1-17-24-27(21(9-12-30-24)19-5-3-4-6-19)36-26(17)25-22(29)16-32-28(34-25)33-23-8-7-20(15-31-23)18-10-13-35(2)14-11-18/h7-9,12,15-16,18-19H,3-6,10-11,13-14H2,1-2H3,(H,31,32,33,34)
InChIKeyQBPZEJDDACNPSS-UHFFFAOYSA-N
MW502.66 g/mol
LogP6.81
Rot. Bonds5

About 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine

4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 164709797) has the molecular formula C28H31FN6S and a molecular weight of 502.66 g/mol. Its IUPAC name is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID164709797
Molecular FormulaC28H31FN6S
Molecular Weight502.66 g/mol
Exact Mass502.23
IUPAC Name4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12
InChIInChI=1S/C28H31FN6S/c1-17-24-27(21(9-12-30-24)19-5-3-4-6-19)36-26(17)25-22(29)16-32-28(34-25)33-23-8-7-20(15-31-23)18-10-13-35(2)14-11-18/h7-9,12,15-16,18-19H,3-6,10-11,13-14H2,1-2H3,(H,31,32,33,34)
InChIKeyQBPZEJDDACNPSS-UHFFFAOYSA-N
XLogP6.81
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
12-Benzyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190904
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 145989991
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
CID 164624174
N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 2808818
7,9-Dimethyl-4-piperidinopyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CID 2816104

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (CID 164709797) is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(C4CCN(C)CC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12.
What is the InChIKey of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is QBPZEJDDACNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6S/c1-17-24-27(21(9-12-30-24)19-5-3-4-6-19)36-26(17)25-22(29)16-32-28(34-25)33-23-8-7-20(15-31-23)18-10-13-35(2)14-11-18/h7-9,12,15-16,18-19H,3-6,10-11,13-14H2,1-2H3,(H,31,32,33,34).
What are the key properties of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 502.66 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 164709797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).