N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C17H22N6 — CID 129475985

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nn(C)c2ncc(CNC[C@H]3CCc4nccn4C3)cc12
InChIInChI=1S/C17H22N6/c1-12-15-7-14(10-20-17(15)22(2)21-12)9-18-8-13-3-4-16-19-5-6-23(16)11-13/h5-7,10,13,18H,3-4,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyXSACYGZDEXPMCS-CYBMUJFWSA-N
MW310.41 g/mol
LogP1.83
Rot. Bonds4

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129475985) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129475985
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nn(C)c2ncc(CNC[C@H]3CCc4nccn4C3)cc12
InChIInChI=1S/C17H22N6/c1-12-15-7-14(10-20-17(15)22(2)21-12)9-18-8-13-3-4-16-19-5-6-23(16)11-13/h5-7,10,13,18H,3-4,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyXSACYGZDEXPMCS-CYBMUJFWSA-N
XLogP1.83
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129475985) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1nn(C)c2ncc(CNC[C@H]3CCc4nccn4C3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is XSACYGZDEXPMCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-15-7-14(10-20-17(15)22(2)21-12)9-18-8-13-3-4-16-19-5-6-23(16)11-13/h5-7,10,13,18H,3-4,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 310.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129475985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).