1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine

C19H31N5O — CID 97074513

IUPAC1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine
SMILESCOCCn1cc(CNC[C@H]2CCCn3cc(C(C)(C)C)nc32)cn1
InChIInChI=1S/C19H31N5O/c1-19(2,3)17-14-23-7-5-6-16(18(23)22-17)12-20-10-15-11-21-24(13-15)8-9-25-4/h11,13-14,16,20H,5-10,12H2,1-4H3/t16-/m1/s1
InChIKeyGJLUYNUVXFALRW-MRXNPFEDSA-N
MW345.49 g/mol
LogP2.69
Rot. Bonds7

About 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine

1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 97074513) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine
PubChem CID97074513
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine
SMILESCOCCn1cc(CNC[C@H]2CCCn3cc(C(C)(C)C)nc32)cn1
InChIInChI=1S/C19H31N5O/c1-19(2,3)17-14-23-7-5-6-16(18(23)22-17)12-20-10-15-11-21-24(13-15)8-9-25-4/h11,13-14,16,20H,5-10,12H2,1-4H3/t16-/m1/s1
InChIKeyGJLUYNUVXFALRW-MRXNPFEDSA-N
XLogP2.69
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine (CID 97074513) is 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine is COCCn1cc(CNC[C@H]2CCCn3cc(C(C)(C)C)nc32)cn1.
What is the InChIKey of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is GJLUYNUVXFALRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2,3)17-14-23-7-5-6-16(18(23)22-17)12-20-10-15-11-21-24(13-15)8-9-25-4/h11,13-14,16,20H,5-10,12H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine?
1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 345.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 97074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).