(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol

C15H16N6O — CID 45102216

IUPAC(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
SMILESNc1nccc(-c2c[nH]c3nccc(N4CC[C@@H](O)C4)c23)n1
InChIInChI=1S/C15H16N6O/c16-15-18-4-1-11(20-15)10-7-19-14-13(10)12(2-5-17-14)21-6-3-9(22)8-21/h1-2,4-5,7,9,22H,3,6,8H2,(H,17,19)(H2,16,18,20)/t9-/m1/s1
InChIKeyFXRGULZQGPEXJB-SECBINFHSA-N
MW296.33 g/mol
LogP1.17
Rot. Bonds2

About (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol

(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol (PubChem CID 45102216) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
PubChem CID45102216
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
SMILESNc1nccc(-c2c[nH]c3nccc(N4CC[C@@H](O)C4)c23)n1
InChIInChI=1S/C15H16N6O/c16-15-18-4-1-11(20-15)10-7-19-14-13(10)12(2-5-17-14)21-6-3-9(22)8-21/h1-2,4-5,7,9,22H,3,6,8H2,(H,17,19)(H2,16,18,20)/t9-/m1/s1
InChIKeyFXRGULZQGPEXJB-SECBINFHSA-N
XLogP1.17
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102218
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidine-3,4-diol
CID 75089872
4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 90783272
4-[4-[(3R)-3-methoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 45102583
(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-fluoropyrrolidin-3-ol
CID 58395821
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
4-[4-[(3R)-3-ethoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395803
N-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]propanamide
CID 123670359
(2S)-4-[(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]butane-1,2-diol
CID 58395874
(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 67181664
(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol
CID 58396119
4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol
CID 143922722

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol (CID 45102216) is (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol is Nc1nccc(-c2c[nH]c3nccc(N4CC[C@@H](O)C4)c23)n1.
What is the InChIKey of (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol?
The InChIKey is FXRGULZQGPEXJB-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N6O/c16-15-18-4-1-11(20-15)10-7-19-14-13(10)12(2-5-17-14)21-6-3-9(22)8-21/h1-2,4-5,7,9,22H,3,6,8H2,(H,17,19)(H2,16,18,20)/t9-/m1/s1.
What are the key properties of (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol?
(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol has a molecular weight of 296.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 45102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).