1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

C14H21N5O — CID 129328972

IUPAC1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCC(C)(C#N)CNC(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H21N5O/c1-14(2,9-15)10-18-13(20)17-8-11-3-5-19-6-4-16-12(19)7-11/h4,6,11H,3,5,7-8,10H2,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyCWTXWVHAOQOREG-NSHDSACASA-N
MW275.36 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (PubChem CID 129328972) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
PubChem CID129328972
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCC(C)(C#N)CNC(=O)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H21N5O/c1-14(2,9-15)10-18-13(20)17-8-11-3-5-19-6-4-16-12(19)7-11/h4,6,11H,3,5,7-8,10H2,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyCWTXWVHAOQOREG-NSHDSACASA-N
XLogP1.29
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The IUPAC name of 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (CID 129328972) is 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The canonical SMILES for 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is CC(C)(C#N)CNC(=O)NC[C@H]1CCn2ccnc2C1.
What is the InChIKey of 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The InChIKey is CWTXWVHAOQOREG-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,9-15)10-18-13(20)17-8-11-3-5-19-6-4-16-12(19)7-11/h4,6,11H,3,5,7-8,10H2,1-2H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea has a molecular weight of 275.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is sourced from PubChem (CID 129328972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).