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

C16H19N7O — CID 58395736

IUPAC[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nccc(-c2c[nH]c3nccc(N4CCC(N)(CO)C4)c23)n1
InChIInChI=1S/C16H19N7O/c17-15-20-4-1-11(22-15)10-7-21-14-13(10)12(2-5-19-14)23-6-3-16(18,8-23)9-24/h1-2,4-5,7,24H,3,6,8-9,18H2,(H,19,21)(H2,17,20,22)
InChIKeyIGLCMMJAZXMPIL-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.50
Rot. Bonds3

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

[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 58395736) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID58395736
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nccc(-c2c[nH]c3nccc(N4CCC(N)(CO)C4)c23)n1
InChIInChI=1S/C16H19N7O/c17-15-20-4-1-11(22-15)10-7-21-14-13(10)12(2-5-19-14)23-6-3-16(18,8-23)9-24/h1-2,4-5,7,24H,3,6,8-9,18H2,(H,19,21)(H2,17,20,22)
InChIKeyIGLCMMJAZXMPIL-UHFFFAOYSA-N
XLogP0.50
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol (CID 58395736) is [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol is Nc1nccc(-c2c[nH]c3nccc(N4CCC(N)(CO)C4)c23)n1.
What is the InChIKey of [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is IGLCMMJAZXMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c17-15-20-4-1-11(22-15)10-7-21-14-13(10)12(2-5-19-14)23-6-3-16(18,8-23)9-24/h1-2,4-5,7,24H,3,6,8-9,18H2,(H,19,21)(H2,17,20,22).
What are the key properties of [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol?
[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 325.38 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 58395736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).