2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile

C18H19N5O — CID 95283741

IUPAC2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCO[C@H](Cn3cccn3)C2)cn2ccccc12
InChIInChI=1S/C18H19N5O/c19-10-17-15(12-22-6-2-1-4-18(17)22)11-21-8-9-24-16(13-21)14-23-7-3-5-20-23/h1-7,12,16H,8-9,11,13-14H2/t16-/m0/s1
InChIKeyBOVOTDNOQBJBBO-INIZCTEOSA-N
MW321.38 g/mol
LogP1.91
Rot. Bonds4

About 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile

2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile (PubChem CID 95283741) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
PubChem CID95283741
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCO[C@H](Cn3cccn3)C2)cn2ccccc12
InChIInChI=1S/C18H19N5O/c19-10-17-15(12-22-6-2-1-4-18(17)22)11-21-8-9-24-16(13-21)14-23-7-3-5-20-23/h1-7,12,16H,8-9,11,13-14H2/t16-/m0/s1
InChIKeyBOVOTDNOQBJBBO-INIZCTEOSA-N
XLogP1.91
TPSA58.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 86772952
(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 124545101
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile (CID 95283741) is 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile is N#Cc1c(CN2CCO[C@H](Cn3cccn3)C2)cn2ccccc12.
What is the InChIKey of 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is BOVOTDNOQBJBBO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O/c19-10-17-15(12-22-6-2-1-4-18(17)22)11-21-8-9-24-16(13-21)14-23-7-3-5-20-23/h1-7,12,16H,8-9,11,13-14H2/t16-/m0/s1.
What are the key properties of 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95283741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).