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

C18H22N6O — CID 75090822

IUPAC2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C18H22N6O/c1-18(2,25)14-4-3-9-24(14)13-6-8-20-16-15(13)11(10-22-16)12-5-7-21-17(19)23-12/h5-8,10,14,25H,3-4,9H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyGUQVHBKMSHAFMZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.34
Rot. Bonds3

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

2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 75090822) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID75090822
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C18H22N6O/c1-18(2,25)14-4-3-9-24(14)13-6-8-20-16-15(13)11(10-22-16)12-5-7-21-17(19)23-12/h5-8,10,14,25H,3-4,9H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyGUQVHBKMSHAFMZ-UHFFFAOYSA-N
XLogP2.34
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol (CID 75090822) is 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)C1CCCN1c1ccnc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is GUQVHBKMSHAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-18(2,25)14-4-3-9-24(14)13-6-8-20-16-15(13)11(10-22-16)12-5-7-21-17(19)23-12/h5-8,10,14,25H,3-4,9H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?
2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 338.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 75090822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).