N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine

C16H21N5 — CID 50958001

IUPACN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCc1cccn2c(CNC(C)CCn3cccn3)cnc12
InChIInChI=1S/C16H21N5/c1-13-5-3-9-21-15(12-18-16(13)21)11-17-14(2)6-10-20-8-4-7-19-20/h3-5,7-9,12,14,17H,6,10-11H2,1-2H3
InChIKeyXPOURCUSADUOJO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (PubChem CID 50958001) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
PubChem CID50958001
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCc1cccn2c(CNC(C)CCn3cccn3)cnc12
InChIInChI=1S/C16H21N5/c1-13-5-3-9-21-15(12-18-16(13)21)11-17-14(2)6-10-20-8-4-7-19-20/h3-5,7-9,12,14,17H,6,10-11H2,1-2H3
InChIKeyXPOURCUSADUOJO-UHFFFAOYSA-N
XLogP2.41
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (CID 50958001) is N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine is Cc1cccn2c(CNC(C)CCn3cccn3)cnc12.
What is the InChIKey of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is XPOURCUSADUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-5-3-9-21-15(12-18-16(13)21)11-17-14(2)6-10-20-8-4-7-19-20/h3-5,7-9,12,14,17H,6,10-11H2,1-2H3.
What are the key properties of N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine?
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 50958001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).