5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane

C29H33N7O3 — CID 144555302

About 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane (PubChem CID 144555302) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane
• PubChem CID: 144555302
• Molecular Formula: C29H33N7O3
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.26
• IUPAC Name: 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane
• SMILES: CC.O=C(Nc1ccc(CN2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12
• InChI: InChI=1S/C27H27N7O3.C2H6/c35-26(17-1-2-17)31-22-11-19(13-28-14-22)18-3-6-24-23(12-18)25(33-32-24)27(36)30-20-4-5-21(29-15-20)16-34-7-9-37-10-8-34;1-2/h3-6,11-15,17H,1-2,7-10,16H2,(H,30,36)(H,31,35)(H,32,33);1-2H3
• InChIKey: RMWHFHFPYPPWBO-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane?

The IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane (CID 144555302) is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane.

What is the SMILES notation for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane?

The canonical SMILES for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane is CC.O=C(Nc1ccc(CN2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12.

What is the InChIKey of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane?

The InChIKey is RMWHFHFPYPPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3.C2H6/c35-26(17-1-2-17)31-22-11-19(13-28-14-22)18-3-6-24-23(12-18)25(33-32-24)27(36)30-20-4-5-21(29-15-20)16-34-7-9-37-10-8-34;1-2/h3-6,11-15,17H,1-2,7-10,16H2,(H,30,36)(H,31,35)(H,32,33);1-2H3.

What are the key properties of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane?

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane has a molecular weight of 527.63 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane is sourced from PubChem (CID 144555302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).