5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane

C29H36N6O3 — CID 144555496

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane (PubChem CID 144555496) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane.

Molecular Properties

• Compound Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane
• PubChem CID: 144555496
• Molecular Formula: C29H36N6O3
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.28
• IUPAC Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane
• SMILES: C=O.C=O.CC(C)C.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1
• InChI: InChI=1S/C23H22N6O.C4H10.2CH2O/c1-15-3-5-19(13-25-15)26-23(30)22-20-10-17(4-6-21(20)27-28-22)18-9-16(11-24-12-18)14-29-7-2-8-29;1-4(2)3;2*1-2/h3-6,9-13H,2,7-8,14H2,1H3,(H,26,30)(H,27,28);4H,1-3H3;2*1H2
• InChIKey: JWTXNUMYBLEYOW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane?

The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane (CID 144555496) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane.

What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane?

The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane is C=O.C=O.CC(C)C.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.

What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane?

The InChIKey is JWTXNUMYBLEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.C4H10.2CH2O/c1-15-3-5-19(13-25-15)26-23(30)22-20-10-17(4-6-21(20)27-28-22)18-9-16(11-24-12-18)14-29-7-2-8-29;1-4(2)3;2*1-2/h3-6,9-13H,2,7-8,14H2,1H3,(H,26,30)(H,27,28);4H,1-3H3;2*1H2.

What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane?

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane has a molecular weight of 516.65 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane is sourced from PubChem (CID 144555496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).