2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

C22H32N6O2 — CID 92577902

IUPAC2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C22H32N6O2/c29-13-12-28-21(20-4-3-11-27(20)17-6-14-30-15-7-17)18(16-24-28)19-5-8-23-22(25-19)26-9-1-2-10-26/h5,8,16-17,20,29H,1-4,6-7,9-15H2/t20-/m1/s1
InChIKeyBECVHGKLUADVEO-HXUWFJFHSA-N
MW412.54 g/mol
LogP2.25
Rot. Bonds6

About 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (PubChem CID 92577902) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
PubChem CID92577902
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C22H32N6O2/c29-13-12-28-21(20-4-3-11-27(20)17-6-14-30-15-7-17)18(16-24-28)19-5-8-23-22(25-19)26-9-1-2-10-26/h5,8,16-17,20,29H,1-4,6-7,9-15H2/t20-/m1/s1
InChIKeyBECVHGKLUADVEO-HXUWFJFHSA-N
XLogP2.25
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxy-1-[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92577895
2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 175662113
2-[5-[(2S)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 124943122
2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 92601869
[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 124910301
2-(3-methylphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560656
2-(3-methylphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560655
2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 110224817
2-(4-methoxyphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92565994
1-[2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]pyrimidin-4-yl]piperidin-3-ol
CID 56746549
1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 92566750
[(1R)-cyclohex-3-en-1-yl]-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92566736

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (CID 92577902) is 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCOCC1.
What is the InChIKey of 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The InChIKey is BECVHGKLUADVEO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N6O2/c29-13-12-28-21(20-4-3-11-27(20)17-6-14-30-15-7-17)18(16-24-28)19-5-8-23-22(25-19)26-9-1-2-10-26/h5,8,16-17,20,29H,1-4,6-7,9-15H2/t20-/m1/s1.
What are the key properties of 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol has a molecular weight of 412.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 92577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).