(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one

C23H30N8O2 — CID 68976081

IUPAC(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)O)CC4)cn3)n2)n1C(C)C
InChIInChI=1S/C23H30N8O2/c1-15(2)31-17(4)25-14-20(31)19-7-8-24-23(27-19)28-21-6-5-18(13-26-21)29-9-11-30(12-10-29)22(33)16(3)32/h5-8,13-16,32H,9-12H2,1-4H3,(H,24,26,27,28)/t16-/m1/s1
InChIKeySFRPFDHLDPZAKA-MRXNPFEDSA-N
MW450.55 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one

(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 68976081) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID68976081
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)O)CC4)cn3)n2)n1C(C)C
InChIInChI=1S/C23H30N8O2/c1-15(2)31-17(4)25-14-20(31)19-7-8-24-23(27-19)28-21-6-5-18(13-26-21)29-9-11-30(12-10-29)22(33)16(3)32/h5-8,13-16,32H,9-12H2,1-4H3,(H,24,26,27,28)/t16-/m1/s1
InChIKeySFRPFDHLDPZAKA-MRXNPFEDSA-N
XLogP2.40
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

[4-(4-methylphenyl)piperazin-1-yl]-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 67037350
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 67037100
[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 67037243
(2S)-1-[4-[6-[[4-(3-cyclopentyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 68974233
ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68975422
ethyl 2-methyl-6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate
CID 68974221
2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 59145173
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 155470966
[2-chloro-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67037223
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
(3-hydroxypyrrolidin-1-yl)-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 67037233
N-cyclopropyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563066

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one (CID 68976081) is (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one is Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)O)CC4)cn3)n2)n1C(C)C.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is SFRPFDHLDPZAKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-15(2)31-17(4)25-14-20(31)19-7-8-24-23(27-19)28-21-6-5-18(13-26-21)29-9-11-30(12-10-29)22(33)16(3)32/h5-8,13-16,32H,9-12H2,1-4H3,(H,24,26,27,28)/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 450.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 68976081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).