7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C19H17F2N5O2 — CID 146392231

IUPAC7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)O)c2cncnc21
InChIInChI=1S/C19H17F2N5O2/c1-10-11(2-3-16(24-10)25-7-14-15(8-25)19(14,20)21)5-26-6-13(18(27)28)12-4-22-9-23-17(12)26/h2-4,6,9,14-15H,5,7-8H2,1H3,(H,27,28)
InChIKeyNEOGDZNUKYEVSP-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.58
Rot. Bonds4

About 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 146392231) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID146392231
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)O)c2cncnc21
InChIInChI=1S/C19H17F2N5O2/c1-10-11(2-3-16(24-10)25-7-14-15(8-25)19(14,20)21)5-26-6-13(18(27)28)12-4-22-9-23-17(12)26/h2-4,6,9,14-15H,5,7-8H2,1H3,(H,27,28)
InChIKeyNEOGDZNUKYEVSP-UHFFFAOYSA-N
XLogP2.58
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (CID 146392231) is 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is Cc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)O)c2cncnc21.
What is the InChIKey of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is NEOGDZNUKYEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-10-11(2-3-16(24-10)25-7-14-15(8-25)19(14,20)21)5-26-6-13(18(27)28)12-4-22-9-23-17(12)26/h2-4,6,9,14-15H,5,7-8H2,1H3,(H,27,28).
What are the key properties of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 385.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).