N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

C19H15FN6O — CID 59200016

IUPACN-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21
InChIInChI=1S/C19H15FN6O/c1-11-10-26(15-6-7-16(20)24-17(11)15)25-19(27)13-9-22-18(23-12(13)2)14-5-3-4-8-21-14/h3-10H,1-2H3,(H,25,27)
InChIKeyXVDMMNXKDNBJKN-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.03
Rot. Bonds3

About N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 59200016) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID59200016
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC NameN-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21
InChIInChI=1S/C19H15FN6O/c1-11-10-26(15-6-7-16(20)24-17(11)15)25-19(27)13-9-22-18(23-12(13)2)14-5-3-4-8-21-14/h3-10H,1-2H3,(H,25,27)
InChIKeyXVDMMNXKDNBJKN-UHFFFAOYSA-N
XLogP3.03
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 59200016) is N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21.
What is the InChIKey of N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is XVDMMNXKDNBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-11-10-26(15-6-7-16(20)24-17(11)15)25-19(27)13-9-22-18(23-12(13)2)14-5-3-4-8-21-14/h3-10H,1-2H3,(H,25,27).
What are the key properties of N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-methylpyrrolo[3,2-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59200016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).