N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine

C18H23N5O — CID 97007866

IUPACN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1cccn2c(CNC[C@@H]3CCO[C@@H]3c3cnn(C)c3)cnc12
InChIInChI=1S/C18H23N5O/c1-13-4-3-6-23-16(11-20-18(13)23)10-19-8-14-5-7-24-17(14)15-9-21-22(2)12-15/h3-4,6,9,11-12,14,17,19H,5,7-8,10H2,1-2H3/t14-,17-/m0/s1
InChIKeyMOLORGCCXPMHKE-YOEHRIQHSA-N
MW325.42 g/mol
LogP2.24
Rot. Bonds5

About N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 97007866) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID97007866
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1cccn2c(CNC[C@@H]3CCO[C@@H]3c3cnn(C)c3)cnc12
InChIInChI=1S/C18H23N5O/c1-13-4-3-6-23-16(11-20-18(13)23)10-19-8-14-5-7-24-17(14)15-9-21-22(2)12-15/h3-4,6,9,11-12,14,17,19H,5,7-8,10H2,1-2H3/t14-,17-/m0/s1
InChIKeyMOLORGCCXPMHKE-YOEHRIQHSA-N
XLogP2.24
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 96510905
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine
CID 154761377
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine (CID 97007866) is N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine is Cc1cccn2c(CNC[C@@H]3CCO[C@@H]3c3cnn(C)c3)cnc12.
What is the InChIKey of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is MOLORGCCXPMHKE-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-3-6-23-16(11-20-18(13)23)10-19-8-14-5-7-24-17(14)15-9-21-22(2)12-15/h3-4,6,9,11-12,14,17,19H,5,7-8,10H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 325.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 97007866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).