6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide

C17H17F3N6O — CID 155155055

IUPAC6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15/h1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24)
InChIKeyMJBODQMRGIDADM-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.83
Rot. Bonds3

About 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide

6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide (PubChem CID 155155055) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
PubChem CID155155055
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15/h1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24)
InChIKeyMJBODQMRGIDADM-UHFFFAOYSA-N
XLogP2.83
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide (CID 155155055) is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide.
What is the SMILES notation for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The canonical SMILES for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide is O=C(NCCC(F)(F)F)n1ccc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The InChIKey is MJBODQMRGIDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)4-6-22-16(27)26-8-3-11-2-7-25(9-13(11)26)15-12-1-5-21-14(12)23-10-24-15/h1,3,5,8,10H,2,4,6-7,9H2,(H,22,27)(H,21,23,24).
What are the key properties of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide?
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide is sourced from PubChem (CID 155155055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).