3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

C22H29N5O — CID 139523360

IUPAC3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1C(C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)N=C2C=CC=CN21
InChIInChI=1S/C22H29N5O/c1-16(18-7-9-19(10-8-18)26-14-12-25(3)13-15-26)23-22(28)21-17(2)27-11-5-4-6-20(27)24-21/h4-11,16-17,21H,12-15H2,1-3H3,(H,23,28)/t16-,17?,21?/m1/s1
InChIKeyHNBWWHJRIQSDFJ-ZGGTZUKQSA-N
MW379.51 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 139523360) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID139523360
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1C(C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)N=C2C=CC=CN21
InChIInChI=1S/C22H29N5O/c1-16(18-7-9-19(10-8-18)26-14-12-25(3)13-15-26)23-22(28)21-17(2)27-11-5-4-6-20(27)24-21/h4-11,16-17,21H,12-15H2,1-3H3,(H,23,28)/t16-,17?,21?/m1/s1
InChIKeyHNBWWHJRIQSDFJ-ZGGTZUKQSA-N
XLogP2.17
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (CID 139523360) is 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is CC1C(C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)N=C2C=CC=CN21.
What is the InChIKey of 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HNBWWHJRIQSDFJ-ZGGTZUKQSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16(18-7-9-19(10-8-18)26-14-12-25(3)13-15-26)23-22(28)21-17(2)27-11-5-4-6-20(27)24-21/h4-11,16-17,21H,12-15H2,1-3H3,(H,23,28)/t16-,17?,21?/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?
3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 139523360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).