[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol

C24H30N4O2S — CID 95832823

IUPAC[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO
InChIInChI=1S/C24H30N4O2S/c1-4-30-23-8-7-18(11-19(23)14-29)13-28-9-5-6-22(28)21-12-20(10-16(2)25-21)27-24-26-17(3)15-31-24/h7-8,10-12,15,22,29H,4-6,9,13-14H2,1-3H3,(H,25,26,27)/t22-/m0/s1
InChIKeyMPOAODRKQATISC-QFIPXVFZSA-N
MW438.60 g/mol
LogP5.13
Rot. Bonds8

About [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 95832823) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID95832823
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO
InChIInChI=1S/C24H30N4O2S/c1-4-30-23-8-7-18(11-19(23)14-29)13-28-9-5-6-22(28)21-12-20(10-16(2)25-21)27-24-26-17(3)15-31-24/h7-8,10-12,15,22,29H,4-6,9,13-14H2,1-3H3,(H,25,26,27)/t22-/m0/s1
InChIKeyMPOAODRKQATISC-QFIPXVFZSA-N
XLogP5.13
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834986
2-(4-fluorophenyl)-1-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832661
[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110262802
N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262883
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
CID 110262632
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832813
N-[2-[(2S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832812

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol (CID 95832823) is [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is MPOAODRKQATISC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-4-30-23-8-7-18(11-19(23)14-29)13-28-9-5-6-22(28)21-12-20(10-16(2)25-21)27-24-26-17(3)15-31-24/h7-8,10-12,15,22,29H,4-6,9,13-14H2,1-3H3,(H,25,26,27)/t22-/m0/s1.
What are the key properties of [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 438.60 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 95832823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).