[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol

C22H24N4O2 — CID 95131742

IUPAC[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
SMILESCOc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1
InChIInChI=1S/C22H24N4O2/c1-28-22-24-11-17(12-25-22)13-26-9-7-20(14-26)19-6-8-23-21(10-19)18-4-2-16(15-27)3-5-18/h2-6,8,10-12,20,27H,7,9,13-15H2,1H3/t20-/m1/s1
InChIKeyDNAXJXKXSQXTHP-HXUWFJFHSA-N
MW376.46 g/mol
LogP3.03
Rot. Bonds6

About [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol

[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol (PubChem CID 95131742) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
PubChem CID95131742
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
SMILESCOc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1
InChIInChI=1S/C22H24N4O2/c1-28-22-24-11-17(12-25-22)13-26-9-7-20(14-26)19-6-8-23-21(10-19)18-4-2-16(15-27)3-5-18/h2-6,8,10-12,20,27H,7,9,13-15H2,1H3/t20-/m1/s1
InChIKeyDNAXJXKXSQXTHP-HXUWFJFHSA-N
XLogP3.03
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
CID 95825449
2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
CID 95129452
1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
CID 50948130
5-[[(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95132668
2-pyridin-4-yl-4-[(3S)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]pyridine
CID 95119958
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95127637
4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 125012653
4-[[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 110098889
2-[[(3S)-3-[2-(3-methoxyphenyl)-4-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 95125885
5-[[(3R)-3-[2-(1-benzothiophen-3-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95148833

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol (CID 95131742) is [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol is COc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1.
What is the InChIKey of [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol?
The InChIKey is DNAXJXKXSQXTHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-22-24-11-17(12-25-22)13-26-9-7-20(14-26)19-6-8-23-21(10-19)18-4-2-16(15-27)3-5-18/h2-6,8,10-12,20,27H,7,9,13-15H2,1H3/t20-/m1/s1.
What are the key properties of [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol?
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol has a molecular weight of 376.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 95131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).