carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten

C40H46ClN10O2W- — CID 158155853

IUPACcarbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten
SMILESCCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(Cl)nc(-c2cccc3[nH]ccc23)n1.[CH3-].[H][2H].[W]
InChIInChI=1S/C22H24N6O.C17H17ClN4O.CH3.W.H2/c1-3-28-20(8-10-24-28)19-13-21(27-11-12-29-14-15(27)2)26-22(25-19)17-5-4-6-18-16(17)7-9-23-18;1-11-10-23-8-7-22(11)16-9-15(18)20-17(21-16)13-3-2-4-14-12(13)5-6-19-14;;;/h4-10,13,15,23H,3,11-12,14H2,1-2H3;2-6,9,11,19H,7-8,10H2,1H3;1H3;;1H/q;;-1;;/t15-;11-;;;/m11.../s1/i;;;;1+1
InChIKeyCFNGLSJONSEQLP-QECDLMQTSA-N
MW919.18 g/mol
LogP7.93
Rot. Bonds6

About carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten

carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten (PubChem CID 158155853) has the molecular formula C40H46ClN10O2W- and a molecular weight of 919.18 g/mol. Its IUPAC name is carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten.

Molecular Properties

Compound Namecarbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten
PubChem CID158155853
Molecular FormulaC40H46ClN10O2W-
Molecular Weight919.18 g/mol
Exact Mass918.31
IUPAC Namecarbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten
SMILESCCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(Cl)nc(-c2cccc3[nH]ccc23)n1.[CH3-].[H][2H].[W]
InChIInChI=1S/C22H24N6O.C17H17ClN4O.CH3.W.H2/c1-3-28-20(8-10-24-28)19-13-21(27-11-12-29-14-15(27)2)26-22(25-19)17-5-4-6-18-16(17)7-9-23-18;1-11-10-23-8-7-22(11)16-9-15(18)20-17(21-16)13-3-2-4-14-12(13)5-6-19-14;;;/h4-10,13,15,23H,3,11-12,14H2,1-2H3;2-6,9,11,19H,7-8,10H2,1H3;1H3;;1H/q;;-1;;/t15-;11-;;;/m11.../s1/i;;;;1+1
InChIKeyCFNGLSJONSEQLP-QECDLMQTSA-N
XLogP7.93
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.18
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten with MolForge

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Related Compounds

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
N-ethyl-6-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646637
Pyrazolo pyrimidine, 5n
CID 44520818
Pyrazolo pyrimidine, 5o
CID 44520819
Pyrazolo pyrimidine, 5p
CID 44520820
Pyrazolo pyrimidine, 5q
CID 44520821
Pyrazolo pyrimidine, 5r
CID 44520822
Tdr79432
CID 7216437
1-[4-[1-ethyl-4-[2-[(2-morpholin-4-ylethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46237143

Frequently Asked Questions

What is the IUPAC name of carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten?
The IUPAC name of carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten (CID 158155853) is carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten.
What is the SMILES notation for carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten?
The canonical SMILES for carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten is CCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(Cl)nc(-c2cccc3[nH]ccc23)n1.[CH3-].[H][2H].[W].
What is the InChIKey of carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten?
The InChIKey is CFNGLSJONSEQLP-QECDLMQTSA-N. The full InChI is InChI=1S/C22H24N6O.C17H17ClN4O.CH3.W.H2/c1-3-28-20(8-10-24-28)19-13-21(27-11-12-29-14-15(27)2)26-22(25-19)17-5-4-6-18-16(17)7-9-23-18;1-11-10-23-8-7-22(11)16-9-15(18)20-17(21-16)13-3-2-4-14-12(13)5-6-19-14;;;/h4-10,13,15,23H,3,11-12,14H2,1-2H3;2-6,9,11,19H,7-8,10H2,1H3;1H3;;1H/q;;-1;;/t15-;11-;;;/m11.../s1/i;;;;1+1.
What are the key properties of carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten?
carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten has a molecular weight of 919.18 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;deuterium monohydride;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten is sourced from PubChem (CID 158155853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).