1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea

C19H18N6O — CID 67449904

IUPAC1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2cccc(Nc3ccn4ccnc4c3)c2cn1
InChIInChI=1S/C19H18N6O/c1-2-20-19(26)24-17-10-13-4-3-5-16(15(13)12-22-17)23-14-6-8-25-9-7-21-18(25)11-14/h3-12,23H,2H2,1H3,(H2,20,22,24,26)
InChIKeyICLVGUDLAIIAHP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.77
Rot. Bonds4

About 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea

1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea (PubChem CID 67449904) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea
PubChem CID67449904
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2cccc(Nc3ccn4ccnc4c3)c2cn1
InChIInChI=1S/C19H18N6O/c1-2-20-19(26)24-17-10-13-4-3-5-16(15(13)12-22-17)23-14-6-8-25-9-7-21-18(25)11-14/h3-12,23H,2H2,1H3,(H2,20,22,24,26)
InChIKeyICLVGUDLAIIAHP-UHFFFAOYSA-N
XLogP3.77
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[8-(3-methylanilino)isoquinolin-3-yl]urea
CID 141308387
1-ethyl-3-[8-(4-methylanilino)isoquinolin-3-yl]urea
CID 141308384
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide
CID 67450696
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]-N-methylbenzamide
CID 67447946
2-[3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]phenyl]acetic acid
CID 67448484
4-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide;hydrochloride
CID 89499661
4-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 89499827
tert-butyl 4-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzoate
CID 67449051
methyl 6-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]pyridine-2-carboxylate
CID 67449562
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
1-ethyl-3-[8-(pyridin-2-yloxymethyl)isoquinolin-3-yl]urea
CID 67447739
1-ethyl-3-[8-[(2-methyl-3-pyridinyl)oxymethyl]isoquinolin-3-yl]urea;hydrochloride
CID 67449709

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea (CID 67449904) is 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea is CCNC(=O)Nc1cc2cccc(Nc3ccn4ccnc4c3)c2cn1.
What is the InChIKey of 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea?
The InChIKey is ICLVGUDLAIIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-20-19(26)24-17-10-13-4-3-5-16(15(13)12-22-17)23-14-6-8-25-9-7-21-18(25)11-14/h3-12,23H,2H2,1H3,(H2,20,22,24,26).
What are the key properties of 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea?
1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea has a molecular weight of 346.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[8-(imidazo[1,2-a]pyridin-7-ylamino)isoquinolin-3-yl]urea is sourced from PubChem (CID 67449904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).