1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea

C21H25N5O4S — CID 66610831

IUPAC1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCc3ccc4nccn4c3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H25N5O4S/c1-15-12-26(13-16(2)30-15)31(28,29)19-6-4-18(5-7-19)24-21(27)23-11-17-3-8-20-22-9-10-25(20)14-17/h3-10,14-16H,11-13H2,1-2H3,(H2,23,24,27)/t15-,16+
InChIKeyIRPULMRQYSLCKB-IYBDPMFKSA-N
MW443.53 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea

1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 66610831) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
PubChem CID66610831
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCc3ccc4nccn4c3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H25N5O4S/c1-15-12-26(13-16(2)30-15)31(28,29)19-6-4-18(5-7-19)24-21(27)23-11-17-3-8-20-22-9-10-25(20)14-17/h3-10,14-16H,11-13H2,1-2H3,(H2,23,24,27)/t15-,16+
InChIKeyIRPULMRQYSLCKB-IYBDPMFKSA-N
XLogP2.45
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
Imidazo[1,2-a]pyridine deriv. 4b
CID 6539031
1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
Sulfonamide deriv. 3f
CID 6539029
Imidazo[1,2-a]pyridine deriv. 4a
CID 6539030
Imidazo[1,2-a]pyridine deriv. 4d
CID 6539033

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The IUPAC name of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 66610831) is 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The canonical SMILES for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea is C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCc3ccc4nccn4c3)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The InChIKey is IRPULMRQYSLCKB-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-15-12-26(13-16(2)30-15)31(28,29)19-6-4-18(5-7-19)24-21(27)23-11-17-3-8-20-22-9-10-25(20)14-17/h3-10,14-16H,11-13H2,1-2H3,(H2,23,24,27)/t15-,16+.
What are the key properties of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 443.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 66610831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).