1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen

C39H49N9O6 — CID 177065382

About 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen

1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen (PubChem CID 177065382) has the molecular formula C39H49N9O6 and a molecular weight of 739.88 g/mol. Its IUPAC name is 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
• PubChem CID: 177065382
• Molecular Formula: C39H49N9O6
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.38
• IUPAC Name: 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
• SMILES: COc1cc2[nH]ncc2cc1C(=O)Nc1cccn(C2CC2)c1=O.O=C1CCN(c2noc3cc(N4CCN(CC5CCCCC5)CC4)ccc23)C(=O)N1.[H][H].[H][H]
• InChI: InChI=1S/C22H29N5O3.C17H16N4O3.2H2/c28-20-8-9-27(22(29)23-20)21-18-7-6-17(14-19(18)30-24-21)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16;1-24-15-8-14-10(9-18-20-14)7-12(15)16(22)19-13-3-2-6-21(17(13)23)11-4-5-11;;/h6-7,14,16H,1-5,8-13,15H2,(H,23,28,29);2-3,6-9,11H,4-5H2,1H3,(H,18,20)(H,19,22);2*1H
• InChIKey: GKUSGIWQPDUIJD-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 170.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The IUPAC name of 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen (CID 177065382) is 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen is COc1cc2[nH]ncc2cc1C(=O)Nc1cccn(C2CC2)c1=O.O=C1CCN(c2noc3cc(N4CCN(CC5CCCCC5)CC4)ccc23)C(=O)N1.[H][H].[H][H].

What is the InChIKey of 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The InChIKey is GKUSGIWQPDUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C17H16N4O3.2H2/c28-20-8-9-27(22(29)23-20)21-18-7-6-17(14-19(18)30-24-21)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16;1-24-15-8-14-10(9-18-20-14)7-12(15)16(22)19-13-3-2-6-21(17(13)23)11-4-5-11;;/h6-7,14,16H,1-5,8-13,15H2,(H,23,28,29);2-3,6-9,11H,4-5H2,1H3,(H,18,20)(H,19,22);2*1H.

What are the key properties of 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen has a molecular weight of 739.88 g/mol, XLogP of 5.79, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(cyclohexylmethyl)piperazin-1-yl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione;N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 177065382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).