N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline

C21H21N5 — CID 154852379

IUPACN-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline
SMILESCn1nc(C2CC2)cc1CNc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H21N5/c1-25-18(12-19(24-25)15-5-6-15)13-22-17-9-7-16(8-10-17)20-14-26-11-3-2-4-21(26)23-20/h2-4,7-12,14-15,22H,5-6,13H2,1H3
InChIKeyUODPEOATNGPNBY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.22
Rot. Bonds5

About N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline

N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline (PubChem CID 154852379) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline
PubChem CID154852379
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline
SMILESCn1nc(C2CC2)cc1CNc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C21H21N5/c1-25-18(12-19(24-25)15-5-6-15)13-22-17-9-7-16(8-10-17)20-14-26-11-3-2-4-21(26)23-20/h2-4,7-12,14-15,22H,5-6,13H2,1H3
InChIKeyUODPEOATNGPNBY-UHFFFAOYSA-N
XLogP4.22
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline?
The IUPAC name of N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline (CID 154852379) is N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline.
What is the SMILES notation for N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline?
The canonical SMILES for N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline is Cn1nc(C2CC2)cc1CNc1ccc(-c2cn3ccccc3n2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline?
The InChIKey is UODPEOATNGPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-25-18(12-19(24-25)15-5-6-15)13-22-17-9-7-16(8-10-17)20-14-26-11-3-2-4-21(26)23-20/h2-4,7-12,14-15,22H,5-6,13H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline?
N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline has a molecular weight of 343.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-4-imidazo[1,2-a]pyridin-2-ylaniline is sourced from PubChem (CID 154852379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).