1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea

C24H33N7O3 — CID 130381949

IUPAC1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea
SMILESCC(CN1CCOCC1)NCCc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC(C)C)c1
InChIInChI=1S/C24H33N7O3/c1-17(2)34-22-12-19(6-7-26-18(3)16-31-8-10-33-11-9-31)4-5-21(22)29-24(32)30-23-15-27-20(13-25)14-28-23/h4-5,12,14-15,17-18,26H,6-11,16H2,1-3H3,(H2,28,29,30,32)
InChIKeyJYKZCRSGYPKWPC-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.63
Rot. Bonds10

About 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea

1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea (PubChem CID 130381949) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea
PubChem CID130381949
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea
SMILESCC(CN1CCOCC1)NCCc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC(C)C)c1
InChIInChI=1S/C24H33N7O3/c1-17(2)34-22-12-19(6-7-26-18(3)16-31-8-10-33-11-9-31)4-5-21(22)29-24(32)30-23-15-27-20(13-25)14-28-23/h4-5,12,14-15,17-18,26H,6-11,16H2,1-3H3,(H2,28,29,30,32)
InChIKeyJYKZCRSGYPKWPC-UHFFFAOYSA-N
XLogP2.63
TPSA124.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-[2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethyl]phenyl]urea;hydrochloride
CID 121281670
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 75456130
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
5-[[5-[2-methoxy-4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 146047519
N-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]acetamide
CID 107529281
1-[5-bromo-4-[2-[(4-fluorophenyl)methylamino]ethyl]-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596349
1-[4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 89431978
1-[5-chloro-2-[[(2S)-oxan-2-yl]methoxy]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 59158566
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
CID 143784563
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea (CID 130381949) is 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea is CC(CN1CCOCC1)NCCc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC(C)C)c1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea?
The InChIKey is JYKZCRSGYPKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-17(2)34-22-12-19(6-7-26-18(3)16-31-8-10-33-11-9-31)4-5-21(22)29-24(32)30-23-15-27-20(13-25)14-28-23/h4-5,12,14-15,17-18,26H,6-11,16H2,1-3H3,(H2,28,29,30,32).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea?
1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea has a molecular weight of 467.57 g/mol, XLogP of 2.63, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-3-[4-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-2-propan-2-yloxyphenyl]urea is sourced from PubChem (CID 130381949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).