[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C22H28N6O2 — CID 45239495

IUPAC[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1n[nH]c2c1CCCC2)Cc1c(C(=O)N2CCOCC2)nc2ccccn12
InChIInChI=1S/C22H28N6O2/c1-26(14-18-16-6-2-3-7-17(16)24-25-18)15-19-21(22(29)27-10-12-30-13-11-27)23-20-8-4-5-9-28(19)20/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,24,25)
InChIKeyKYYPLPLHDROGCW-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.04
Rot. Bonds5

About [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 45239495) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID45239495
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1n[nH]c2c1CCCC2)Cc1c(C(=O)N2CCOCC2)nc2ccccn12
InChIInChI=1S/C22H28N6O2/c1-26(14-18-16-6-2-3-7-17(16)24-25-18)15-19-21(22(29)27-10-12-30-13-11-27)23-20-8-4-5-9-28(19)20/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,24,25)
InChIKeyKYYPLPLHDROGCW-UHFFFAOYSA-N
XLogP2.04
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 45239495) is [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is CN(Cc1n[nH]c2c1CCCC2)Cc1c(C(=O)N2CCOCC2)nc2ccccn12.
What is the InChIKey of [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KYYPLPLHDROGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-26(14-18-16-6-2-3-7-17(16)24-25-18)15-19-21(22(29)27-10-12-30-13-11-27)23-20-8-4-5-9-28(19)20/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,24,25).
What are the key properties of [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 408.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45239495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).