N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

C18H20ClN5 — CID 154842880

IUPACN-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCn1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)n1
InChIInChI=1S/C18H20ClN5/c1-23-11-14(18(19)22-23)10-20-15-7-5-13(6-8-15)16-12-24-9-3-2-4-17(24)21-16/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeySGTNREUHGXHDEZ-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.89
Rot. Bonds4

About N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (PubChem CID 154842880) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
PubChem CID154842880
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC NameN-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCn1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)n1
InChIInChI=1S/C18H20ClN5/c1-23-11-14(18(19)22-23)10-20-15-7-5-13(6-8-15)16-12-24-9-3-2-4-17(24)21-16/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeySGTNREUHGXHDEZ-UHFFFAOYSA-N
XLogP3.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The IUPAC name of N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (CID 154842880) is N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.
What is the SMILES notation for N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The canonical SMILES for N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is Cn1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)n1.
What is the InChIKey of N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The InChIKey is SGTNREUHGXHDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-23-11-14(18(19)22-23)10-20-15-7-5-13(6-8-15)16-12-24-9-3-2-4-17(24)21-16/h5-8,11-12,20H,2-4,9-10H2,1H3.
What are the key properties of N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline has a molecular weight of 341.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is sourced from PubChem (CID 154842880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).