1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide

C39H45N11O4 — CID 177065336

IUPAC1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]ncc2cc1C(=O)Nc1cnc2cccnn12.O=C1CCN(c2cncc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1
InChIInChI=1S/C24H33N5O2.C15H12N6O2/c30-23-10-15-29(24(31)26-23)22-17-25-16-21-20(22)9-14-28(21)19-7-12-27(13-8-19)11-6-18-4-2-1-3-5-18;1-23-12-6-11-9(7-17-20-11)5-10(12)15(22)19-14-8-16-13-3-2-4-18-21(13)14/h9,14,16-19H,1-8,10-13,15H2,(H,26,30,31);2-8H,1H3,(H,17,20)(H,19,22)
InChIKeyBRWHOBTXZOEXST-UHFFFAOYSA-N
MW731.86 g/mol
LogP5.96
Rot. Bonds8

About 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide

1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 177065336) has the molecular formula C39H45N11O4 and a molecular weight of 731.86 g/mol. Its IUPAC name is 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
PubChem CID177065336
Molecular FormulaC39H45N11O4
Molecular Weight731.86 g/mol
Exact Mass731.37
IUPAC Name1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]ncc2cc1C(=O)Nc1cnc2cccnn12.O=C1CCN(c2cncc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1
InChIInChI=1S/C24H33N5O2.C15H12N6O2/c30-23-10-15-29(24(31)26-23)22-17-25-16-21-20(22)9-14-28(21)19-7-12-27(13-8-19)11-6-18-4-2-1-3-5-18;1-23-12-6-11-9(7-17-20-11)5-10(12)15(22)19-14-8-16-13-3-2-4-18-21(13)14/h9,14,16-19H,1-8,10-13,15H2,(H,26,30,31);2-8H,1H3,(H,17,20)(H,19,22)
InChIKeyBRWHOBTXZOEXST-UHFFFAOYSA-N
XLogP5.96
TPSA167.67 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide with MolForge

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Related Compounds

1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-5-fluoroindol-4-yl]-1,3-diazinane-2,4-dione;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide;molecular hydrogen
CID 177065255
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide
CID 177065411
2-[4-[[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]piperidin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504571
2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504569
2-[4-[[4-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504619
2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide
CID 177065414
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
CID 163396322
4-amino-N-imidazo[1,2-b]pyridazin-3-yl-5-methanimidoyl-2-methoxybenzamide;3-[4-[4-(2-cyclohexylethyl)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
CID 177065259
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
CID 177065367
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
2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504551
2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504580

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide (CID 177065336) is 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]ncc2cc1C(=O)Nc1cnc2cccnn12.O=C1CCN(c2cncc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1.
What is the InChIKey of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is BRWHOBTXZOEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2.C15H12N6O2/c30-23-10-15-29(24(31)26-23)22-17-25-16-21-20(22)9-14-28(21)19-7-12-27(13-8-19)11-6-18-4-2-1-3-5-18;1-23-12-6-11-9(7-17-20-11)5-10(12)15(22)19-14-8-16-13-3-2-4-18-21(13)14/h9,14,16-19H,1-8,10-13,15H2,(H,26,30,31);2-8H,1H3,(H,17,20)(H,19,22).
What are the key properties of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide?
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 731.86 g/mol, XLogP of 5.96, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 177065336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).