N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

C22H28FN7O3 — CID 169143537

About N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 169143537) has the molecular formula C22H28FN7O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• PubChem CID: 169143537
• Molecular Formula: C22H28FN7O3
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.22
• IUPAC Name: N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• SMILES: COCc1cc(C(=O)Nc2cc([C@@H]3C[C@H](F)[C@H](Oc4nnccc4C(C)C)C3)[nH]n2)n(C)n1
• InChI: InChI=1S/C22H28FN7O3/c1-12(2)15-5-6-24-28-22(15)33-19-8-13(7-16(19)23)17-10-20(27-26-17)25-21(31)18-9-14(11-32-4)29-30(18)3/h5-6,9-10,12-13,16,19H,7-8,11H2,1-4H3,(H2,25,26,27,31)/t13-,16+,19-/m1/s1
• InChIKey: JIRHTQOVZDYCIY-ACWOFJMJSA-N
• XLogP: 3.12
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The IUPAC name of N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (CID 169143537) is N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The canonical SMILES for N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc([C@@H]3C[C@H](F)[C@H](Oc4nnccc4C(C)C)C3)[nH]n2)n(C)n1.

What is the InChIKey of N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The InChIKey is JIRHTQOVZDYCIY-ACWOFJMJSA-N. The full InChI is InChI=1S/C22H28FN7O3/c1-12(2)15-5-6-24-28-22(15)33-19-8-13(7-16(19)23)17-10-20(27-26-17)25-21(31)18-9-14(11-32-4)29-30(18)3/h5-6,9-10,12-13,16,19H,7-8,11H2,1-4H3,(H2,25,26,27,31)/t13-,16+,19-/m1/s1.

What are the key properties of N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 169143537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).