4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide

C25H29N5O3S — CID 171784144

IUPAC4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C(=O)C4CCCN4)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C25H29N5O3S/c1-16-27-23(20-10-14-34-24(20)28-16)33-15-17-4-6-18(7-5-17)22(31)29-19-8-12-30(13-9-19)25(32)21-3-2-11-26-21/h4-7,10,14,19,21,26H,2-3,8-9,11-13,15H2,1H3,(H,29,31)
InChIKeyOUFMYGAYKRVSRM-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.05
Rot. Bonds6

About 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide

4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 171784144) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID171784144
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C(=O)C4CCCN4)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C25H29N5O3S/c1-16-27-23(20-10-14-34-24(20)28-16)33-15-17-4-6-18(7-5-17)22(31)29-19-8-12-30(13-9-19)25(32)21-3-2-11-26-21/h4-7,10,14,19,21,26H,2-3,8-9,11-13,15H2,1H3,(H,29,31)
InChIKeyOUFMYGAYKRVSRM-UHFFFAOYSA-N
XLogP3.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide (CID 171784144) is 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide is Cc1nc(OCc2ccc(C(=O)NC3CCN(C(=O)C4CCCN4)CC3)cc2)c2ccsc2n1.
What is the InChIKey of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is OUFMYGAYKRVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-16-27-23(20-10-14-34-24(20)28-16)33-15-17-4-6-18(7-5-17)22(31)29-19-8-12-30(13-9-19)25(32)21-3-2-11-26-21/h4-7,10,14,19,21,26H,2-3,8-9,11-13,15H2,1H3,(H,29,31).
What are the key properties of 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide?
4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 479.61 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 171784144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).