4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide

C18H23ClN6O2 — CID 92589825

About 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 92589825) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide
• PubChem CID: 92589825
• Molecular Formula: C18H23ClN6O2
• Molecular Weight: 390.88 g/mol
• Exact Mass: 390.16
• IUPAC Name: 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide
• SMILES: CCn1cc(Cl)c(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)n1
• InChI: InChI=1S/C18H23ClN6O2/c1-2-25-10-14(19)16(23-25)17(26)21-13-4-3-6-24(9-13)18-20-8-12-11-27-7-5-15(12)22-18/h8,10,13H,2-7,9,11H2,1H3,(H,21,26)/t13-/m1/s1
• InChIKey: QLTMOLWFLJQKLF-CYBMUJFWSA-N
• XLogP: 1.82
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.88
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide?

The IUPAC name of 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide (CID 92589825) is 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)n1.

What is the InChIKey of 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide?

The InChIKey is QLTMOLWFLJQKLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-2-25-10-14(19)16(23-25)17(26)21-13-4-3-6-24(9-13)18-20-8-12-11-27-7-5-15(12)22-18/h8,10,13H,2-7,9,11H2,1H3,(H,21,26)/t13-/m1/s1.

What are the key properties of 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide?

4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 390.88 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 92589825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).