(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C24H30N6O — CID 124981712

IUPAC(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1C[C@@H](C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H30N6O/c1-3-23-26-13-16-30(23)17-18(2)24(31)29-14-10-19(11-15-29)20-7-6-9-22(27-20)28-21-8-4-5-12-25-21/h4-9,12-13,16,18-19H,3,10-11,14-15,17H2,1-2H3,(H,25,27,28)/t18-/m1/s1
InChIKeyMSBHCTSKBCKTOJ-GOSISDBHSA-N
MW418.55 g/mol
LogP4.02
Rot. Bonds7

About (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 124981712) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID124981712
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1C[C@@H](C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H30N6O/c1-3-23-26-13-16-30(23)17-18(2)24(31)29-14-10-19(11-15-29)20-7-6-9-22(27-20)28-21-8-4-5-12-25-21/h4-9,12-13,16,18-19H,3,10-11,14-15,17H2,1-2H3,(H,25,27,28)/t18-/m1/s1
InChIKeyMSBHCTSKBCKTOJ-GOSISDBHSA-N
XLogP4.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

Wnt-974
CID 46926973
Las-101057
CID 16071896
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
2,4-Disubstituted Pyrimidine 3d
CID 5329429
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 124981712) is (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is CCc1nccn1C[C@@H](C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1.
What is the InChIKey of (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is MSBHCTSKBCKTOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N6O/c1-3-23-26-13-16-30(23)17-18(2)24(31)29-14-10-19(11-15-29)20-7-6-9-22(27-20)28-21-8-4-5-12-25-21/h4-9,12-13,16,18-19H,3,10-11,14-15,17H2,1-2H3,(H,25,27,28)/t18-/m1/s1.
What are the key properties of (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 418.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124981712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).