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

C42H51FN10O4 — CID 177065255

IUPAC1-[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
SMILESO=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.O=C1CCN(c2c(F)ccc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1.[H][H].[H][H]
InChIInChI=1S/C25H33FN4O2.C17H14N6O2.2H2/c26-21-6-7-22-20(24(21)30-17-12-23(31)27-25(30)32)11-16-29(22)19-9-14-28(15-10-19)13-8-18-4-2-1-3-5-18;24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;;/h6-7,11,16,18-19H,1-5,8-10,12-15,17H2,(H,27,31,32);1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);2*1H
InChIKeyKNHPHARUHBBLSY-UHFFFAOYSA-N
MW778.93 g/mol
LogP7.73
Rot. Bonds9

About 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

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 (PubChem CID 177065255) has the molecular formula C42H51FN10O4 and a molecular weight of 778.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID177065255
Molecular FormulaC42H51FN10O4
Molecular Weight778.93 g/mol
Exact Mass778.41
IUPAC Name1-[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
SMILESO=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.O=C1CCN(c2c(F)ccc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1.[H][H].[H][H]
InChIInChI=1S/C25H33FN4O2.C17H14N6O2.2H2/c26-21-6-7-22-20(24(21)30-17-12-23(31)27-25(30)32)11-16-29(22)19-9-14-28(15-10-19)13-8-18-4-2-1-3-5-18;24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;;/h6-7,11,16,18-19H,1-5,8-10,12-15,17H2,(H,27,31,32);1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);2*1H
InChIKeyKNHPHARUHBBLSY-UHFFFAOYSA-N
XLogP7.73
TPSA154.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.93
LogP ≤ 57.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
2-cyclohexylethanol;6-cyclopropyloxy-N-imidazo[1,2-b]pyridazin-3-yl-1H-indazole-5-carboxamide
CID 177065414
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-[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
(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
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
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
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
CID 177065367
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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cnc2cccnn12)c1cc2cn[nH]c2cc1OC1CC1.O=C1CCN(c2c(F)ccc3c2ccn3C2CCN(CCC3CCCCC3)CC2)C(=O)N1.[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is KNHPHARUHBBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2.C17H14N6O2.2H2/c26-21-6-7-22-20(24(21)30-17-12-23(31)27-25(30)32)11-16-29(22)19-9-14-28(15-10-19)13-8-18-4-2-1-3-5-18;24-17(21-16-9-18-15-2-1-5-20-23(15)16)12-6-10-8-19-22-13(10)7-14(12)25-11-3-4-11;;/h6-7,11,16,18-19H,1-5,8-10,12-15,17H2,(H,27,31,32);1-2,5-9,11H,3-4H2,(H,19,22)(H,21,24);2*1H.
What are the key properties of 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?
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 has a molecular weight of 778.93 g/mol, XLogP of 7.73, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).