3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine

C24H32ClN7 — CID 145424585

IUPAC3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N)ccc(N4CCN(C)CC4)n3c2Cl)N1C
InChIInChI=1S/C24H32ClN7/c1-16-6-5-11-27-21(16)18-7-4-8-19(30(18)3)22-23(25)32-20(10-9-17(26)24(32)28-22)31-14-12-29(2)13-15-31/h5-6,9-11,18-19H,4,7-8,12-15,26H2,1-3H3/t18-,19+/m0/s1
InChIKeyKTMROLNZSBEDGS-RBUKOAKNSA-N
MW454.02 g/mol
LogP3.92
Rot. Bonds3

About 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine

3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 145424585) has the molecular formula C24H32ClN7 and a molecular weight of 454.02 g/mol. Its IUPAC name is 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID145424585
Molecular FormulaC24H32ClN7
Molecular Weight454.02 g/mol
Exact Mass453.24
IUPAC Name3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N)ccc(N4CCN(C)CC4)n3c2Cl)N1C
InChIInChI=1S/C24H32ClN7/c1-16-6-5-11-27-21(16)18-7-4-8-19(30(18)3)22-23(25)32-20(10-9-17(26)24(32)28-22)31-14-12-29(2)13-15-31/h5-6,9-11,18-19H,4,7-8,12-15,26H2,1-3H3/t18-,19+/m0/s1
InChIKeyKTMROLNZSBEDGS-RBUKOAKNSA-N
XLogP3.92
TPSA65.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine (CID 145424585) is 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N)ccc(N4CCN(C)CC4)n3c2Cl)N1C.
What is the InChIKey of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is KTMROLNZSBEDGS-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H32ClN7/c1-16-6-5-11-27-21(16)18-7-4-8-19(30(18)3)22-23(25)32-20(10-9-17(26)24(32)28-22)31-14-12-29(2)13-15-31/h5-6,9-11,18-19H,4,7-8,12-15,26H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine?
3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 454.02 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 145424585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).