2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine

C24H27N3O — CID 95129452

IUPAC2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
SMILESCC(C)Oc1ccc(-c2cc([C@H]3CCN(Cc4cccnc4)C3)ccn2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)28-23-7-5-20(6-8-23)24-14-21(9-12-26-24)22-10-13-27(17-22)16-19-4-3-11-25-15-19/h3-9,11-12,14-15,18,22H,10,13,16-17H2,1-2H3/t22-/m0/s1
InChIKeyBNQOZLFTACIQFP-QFIPXVFZSA-N
MW373.50 g/mol
LogP4.92
Rot. Bonds6

About 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine

2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine (PubChem CID 95129452) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
PubChem CID95129452
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
SMILESCC(C)Oc1ccc(-c2cc([C@H]3CCN(Cc4cccnc4)C3)ccn2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)28-23-7-5-20(6-8-23)24-14-21(9-12-26-24)22-10-13-27(17-22)16-19-4-3-11-25-15-19/h3-9,11-12,14-15,18,22H,10,13,16-17H2,1-2H3/t22-/m0/s1
InChIKeyBNQOZLFTACIQFP-QFIPXVFZSA-N
XLogP4.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299
[4-[4-[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenyl]methanol
CID 95131742
1-[3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenyl]ethanone
CID 50963042
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
3-[4-[1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]quinoline
CID 50948130
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081
5-[[(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95132668
3-[[3-[5-[(4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 127252203
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
2-pyridin-4-yl-4-[(3S)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]pyridine
CID 95119958

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine (CID 95129452) is 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine is CC(C)Oc1ccc(-c2cc([C@H]3CCN(Cc4cccnc4)C3)ccn2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine?
The InChIKey is BNQOZLFTACIQFP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18(2)28-23-7-5-20(6-8-23)24-14-21(9-12-26-24)22-10-13-27(17-22)16-19-4-3-11-25-15-19/h3-9,11-12,14-15,18,22H,10,13,16-17H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine?
2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine has a molecular weight of 373.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 95129452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).