[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol

C17H20N6O — CID 58395918

IUPAC[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1N1CCC[C@H]1CO
InChIInChI=1S/C17H20N6O/c1-10-7-20-16-14(15(10)23-6-2-3-11(23)9-24)12(8-21-16)13-4-5-19-17(18)22-13/h4-5,7-8,11,24H,2-3,6,9H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyOTUSJAFGMODNJI-NSHDSACASA-N
MW324.39 g/mol
LogP1.87
Rot. Bonds3

About [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 58395918) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID58395918
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1N1CCC[C@H]1CO
InChIInChI=1S/C17H20N6O/c1-10-7-20-16-14(15(10)23-6-2-3-11(23)9-24)12(8-21-16)13-4-5-19-17(18)22-13/h4-5,7-8,11,24H,2-3,6,9H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyOTUSJAFGMODNJI-NSHDSACASA-N
XLogP1.87
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 75090822
1-[(2S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]ethanol
CID 150895011
[(2S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4,4-difluoropyrrolidin-2-yl]methanol
CID 67179498
(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102216
4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 90783272
4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395795
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidine-3,4-diol
CID 75089872
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 91462753
N-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]propanamide
CID 123670359
4-[4-[(3R)-3-ethoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395803
[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol
CID 58395736

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol (CID 58395918) is [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol is Cc1cnc2[nH]cc(-c3ccnc(N)n3)c2c1N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is OTUSJAFGMODNJI-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-7-20-16-14(15(10)23-6-2-3-11(23)9-24)12(8-21-16)13-4-5-19-17(18)22-13/h4-5,7-8,11,24H,2-3,6,9H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1.
What are the key properties of [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 324.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58395918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).