1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C23H29N7O2 — CID 146371888

About 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146371888) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
• PubChem CID: 146371888
• Molecular Formula: C23H29N7O2
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.24
• IUPAC Name: 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
• SMILES: COC1(C)CN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4n[nH]c5C)cn3)c(C)n2)C1
• InChI: InChI=1S/C23H29N7O2/c1-14-16(5-8-20(25-14)29-12-23(3,13-29)32-4)10-30-11-17(9-24-30)22(31)26-19-7-6-18-15(2)27-28-21(18)19/h5,8-9,11,19H,6-7,10,12-13H2,1-4H3,(H,26,31)(H,27,28)/t19-/m1/s1
• InChIKey: NWLKBMBNLVLWJZ-LJQANCHMSA-N
• XLogP: 2.31
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146371888) is 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is COC1(C)CN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4n[nH]c5C)cn3)c(C)n2)C1.

What is the InChIKey of 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

The InChIKey is NWLKBMBNLVLWJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-14-16(5-8-20(25-14)29-12-23(3,13-29)32-4)10-30-11-17(9-24-30)22(31)26-19-7-6-18-15(2)27-28-21(18)19/h5,8-9,11,19H,6-7,10,12-13H2,1-4H3,(H,26,31)(H,27,28)/t19-/m1/s1.

What are the key properties of 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?

1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 146371888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).