(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine

C27H38N6 — CID 170249963

IUPAC(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H]([C@]2(C)N=C3C=CC=C(N4CCN(C5CC5)CC4)N3C2C)N1
InChIInChI=1S/C27H38N6/c1-19-7-6-14-28-26(19)22-8-4-9-23(29-22)27(3)20(2)33-24(30-27)10-5-11-25(33)32-17-15-31(16-18-32)21-12-13-21/h5-7,10-11,14,20-23,29H,4,8-9,12-13,15-18H2,1-3H3/t20?,22-,23+,27+/m0/s1
InChIKeyJNEZXXHATHAOHU-MMRHOCHISA-N
MW446.64 g/mol
LogP3.63
Rot. Bonds4

About (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine

(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine (PubChem CID 170249963) has the molecular formula C27H38N6 and a molecular weight of 446.64 g/mol. Its IUPAC name is (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine
PubChem CID170249963
Molecular FormulaC27H38N6
Molecular Weight446.64 g/mol
Exact Mass446.32
IUPAC Name(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H]([C@]2(C)N=C3C=CC=C(N4CCN(C5CC5)CC4)N3C2C)N1
InChIInChI=1S/C27H38N6/c1-19-7-6-14-28-26(19)22-8-4-9-23(29-22)27(3)20(2)33-24(30-27)10-5-11-25(33)32-17-15-31(16-18-32)21-12-13-21/h5-7,10-11,14,20-23,29H,4,8-9,12-13,15-18H2,1-3H3/t20?,22-,23+,27+/m0/s1
InChIKeyJNEZXXHATHAOHU-MMRHOCHISA-N
XLogP3.63
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine with MolForge

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Related Compounds

1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
5-(4-cyclopropylpiperazin-1-yl)-2-[(6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 155373984
tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 146556157
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555557
3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 155373924
3-chloro-5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555508
2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine
CID 166909983
(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71162773
1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
CID 146039121
4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 145424882
2-[(2R,4S,6S)-4-methoxy-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 146555164

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine?
The IUPAC name of (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine (CID 170249963) is (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine.
What is the SMILES notation for (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine?
The canonical SMILES for (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H]([C@]2(C)N=C3C=CC=C(N4CCN(C5CC5)CC4)N3C2C)N1.
What is the InChIKey of (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine?
The InChIKey is JNEZXXHATHAOHU-MMRHOCHISA-N. The full InChI is InChI=1S/C27H38N6/c1-19-7-6-14-28-26(19)22-8-4-9-23(29-22)27(3)20(2)33-24(30-27)10-5-11-25(33)32-17-15-31(16-18-32)21-12-13-21/h5-7,10-11,14,20-23,29H,4,8-9,12-13,15-18H2,1-3H3/t20?,22-,23+,27+/m0/s1.
What are the key properties of (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine?
(2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine has a molecular weight of 446.64 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-cyclopropylpiperazin-1-yl)-2,3-dimethyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 170249963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).