1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea

C19H30N4O2 — CID 124873751

IUPAC1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESCc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCC13CCOCC3)CCC2
InChIInChI=1S/C19H30N4O2/c1-14-13-23-9-3-4-15(17(23)21-14)12-20-18(24)22-16-5-2-6-19(16)7-10-25-11-8-19/h13,15-16H,2-12H2,1H3,(H2,20,22,24)/t15-,16+/m1/s1
InChIKeyMDEKYWJOVLYWAN-CVEARBPZSA-N
MW346.48 g/mol
LogP2.72
Rot. Bonds3

About 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea

1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea (PubChem CID 124873751) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea.

Molecular Properties

Compound Name1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
PubChem CID124873751
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESCc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCC13CCOCC3)CCC2
InChIInChI=1S/C19H30N4O2/c1-14-13-23-9-3-4-15(17(23)21-14)12-20-18(24)22-16-5-2-6-19(16)7-10-25-11-8-19/h13,15-16H,2-12H2,1H3,(H2,20,22,24)/t15-,16+/m1/s1
InChIKeyMDEKYWJOVLYWAN-CVEARBPZSA-N
XLogP2.72
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The IUPAC name of 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea (CID 124873751) is 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea.
What is the SMILES notation for 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The canonical SMILES for 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea is Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCC13CCOCC3)CCC2.
What is the InChIKey of 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The InChIKey is MDEKYWJOVLYWAN-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-13-23-9-3-4-15(17(23)21-14)12-20-18(24)22-16-5-2-6-19(16)7-10-25-11-8-19/h13,15-16H,2-12H2,1H3,(H2,20,22,24)/t15-,16+/m1/s1.
What are the key properties of 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea is sourced from PubChem (CID 124873751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).