N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

C19H24N6OS — CID 175650748

IUPACN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1cc2c(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)ncnc2s1
InChIInChI=1S/C19H24N6OS/c1-4-15-8-16-17(20-12-21-18(16)27-15)25-7-5-6-14(11-25)24(3)19(26)13-9-22-23(2)10-13/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyZWJADJOFCURTDJ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.73
Rot. Bonds4

About N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175650748) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175650748
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1cc2c(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)ncnc2s1
InChIInChI=1S/C19H24N6OS/c1-4-15-8-16-17(20-12-21-18(16)27-15)25-7-5-6-14(11-25)24(3)19(26)13-9-22-23(2)10-13/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyZWJADJOFCURTDJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175650748) is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is CCc1cc2c(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)ncnc2s1.
What is the InChIKey of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ZWJADJOFCURTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-4-15-8-16-17(20-12-21-18(16)27-15)25-7-5-6-14(11-25)24(3)19(26)13-9-22-23(2)10-13/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175650748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).