4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C16H15N5O2 — CID 140834523

IUPAC4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCC1(n2c(-c3cccnc3)c(C(=O)O)c3c(N)ncnc32)CC1
InChIInChI=1S/C16H15N5O2/c1-16(4-5-16)21-12(9-3-2-6-18-7-9)10(15(22)23)11-13(17)19-8-20-14(11)21/h2-3,6-8H,4-5H2,1H3,(H,22,23)(H2,17,19,20)
InChIKeyLGOZPBADNYPXFP-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid

4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 140834523) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID140834523
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCC1(n2c(-c3cccnc3)c(C(=O)O)c3c(N)ncnc32)CC1
InChIInChI=1S/C16H15N5O2/c1-16(4-5-16)21-12(9-3-2-6-18-7-9)10(15(22)23)11-13(17)19-8-20-14(11)21/h2-3,6-8H,4-5H2,1H3,(H,22,23)(H2,17,19,20)
InChIKeyLGOZPBADNYPXFP-UHFFFAOYSA-N
XLogP2.28
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid (CID 140834523) is 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid is CC1(n2c(-c3cccnc3)c(C(=O)O)c3c(N)ncnc32)CC1.
What is the InChIKey of 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is LGOZPBADNYPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-16(4-5-16)21-12(9-3-2-6-18-7-9)10(15(22)23)11-13(17)19-8-20-14(11)21/h2-3,6-8H,4-5H2,1H3,(H,22,23)(H2,17,19,20).
What are the key properties of 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 140834523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).