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

C13H19N5 — CID 97066020

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1[nH]ncc1CNC[C@H]1CCCn2ccnc21
InChIInChI=1S/C13H19N5/c1-10-12(9-16-17-10)8-14-7-11-3-2-5-18-6-4-15-13(11)18/h4,6,9,11,14H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyBPVUKGIBFPJYQF-LLVKDONJSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97066020) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97066020
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1[nH]ncc1CNC[C@H]1CCCn2ccnc21
InChIInChI=1S/C13H19N5/c1-10-12(9-16-17-10)8-14-7-11-3-2-5-18-6-4-15-13(11)18/h4,6,9,11,14H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyBPVUKGIBFPJYQF-LLVKDONJSA-N
XLogP1.58
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97066020) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is Cc1[nH]ncc1CNC[C@H]1CCCn2ccnc21.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is BPVUKGIBFPJYQF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-12(9-16-17-10)8-14-7-11-3-2-5-18-6-4-15-13(11)18/h4,6,9,11,14H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97066020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).