(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

C17H20N4O — CID 99631304

IUPAC(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@H]1COCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C17H20N4O/c1-19-7-4-5-15(19)16-13-22-10-9-20(16)11-14-12-21-8-3-2-6-17(21)18-14/h2-8,12,16H,9-11,13H2,1H3/t16-/m1/s1
InChIKeyCVMGUTVTHXDVNZ-MRXNPFEDSA-N
MW296.37 g/mol
LogP2.25
Rot. Bonds3

About (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (PubChem CID 99631304) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
PubChem CID99631304
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@H]1COCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C17H20N4O/c1-19-7-4-5-15(19)16-13-22-10-9-20(16)11-14-12-21-8-3-2-6-17(21)18-14/h2-8,12,16H,9-11,13H2,1H3/t16-/m1/s1
InChIKeyCVMGUTVTHXDVNZ-MRXNPFEDSA-N
XLogP2.25
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 91661825
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 86803812
3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 86803681
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631897
4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 86803831
(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 129381721
(4aS,8aR)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95576057
(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
CID 129430025
N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
CID 86803826
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
N-(2-chlorophenyl)-2-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 86803809
N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631648

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The IUPAC name of (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (CID 99631304) is (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.
What is the SMILES notation for (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The canonical SMILES for (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is Cn1cccc1[C@H]1COCCN1Cc1cn2ccccc2n1.
What is the InChIKey of (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The InChIKey is CVMGUTVTHXDVNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O/c1-19-7-4-5-15(19)16-13-22-10-9-20(16)11-14-12-21-8-3-2-6-17(21)18-14/h2-8,12,16H,9-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is sourced from PubChem (CID 99631304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).