(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone

C19H16FN7O — CID 67446366

IUPAC(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
SMILESCCc1ccc(Nc2ccc(C(=O)c3c[nH]c4ncnc(N)c34)c(F)n2)cn1
InChIInChI=1S/C19H16FN7O/c1-2-10-3-4-11(7-22-10)26-14-6-5-12(17(20)27-14)16(28)13-8-23-19-15(13)18(21)24-9-25-19/h3-9H,2H2,1H3,(H,26,27)(H3,21,23,24,25)
InChIKeyNJDNEOJYPDSWCL-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.01
Rot. Bonds5

About (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone

(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone (PubChem CID 67446366) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
PubChem CID67446366
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
SMILESCCc1ccc(Nc2ccc(C(=O)c3c[nH]c4ncnc(N)c34)c(F)n2)cn1
InChIInChI=1S/C19H16FN7O/c1-2-10-3-4-11(7-22-10)26-14-6-5-12(17(20)27-14)16(28)13-8-23-19-15(13)18(21)24-9-25-19/h3-9H,2H2,1H3,(H,26,27)(H3,21,23,24,25)
InChIKeyNJDNEOJYPDSWCL-UHFFFAOYSA-N
XLogP3.01
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-cyclopropyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 67446447
5-[1-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]ethenyl]-N-[1-(4-fluorophenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 130438177
[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485876
[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 67453245
[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485701
6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
CID 54588867
[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1-hydroxybutan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485916
[4-(2-cyclopropylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[6-[(3,3-difluorocyclobutyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 123945905
[6-[[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-3-yl]amino]-2-fluoro-3-pyridinyl]-[4-(1-hydroxybutan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 130438191
[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485724
[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoro-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485688
[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1-methoxypropan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485720

Frequently Asked Questions

What is the IUPAC name of (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone?
The IUPAC name of (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone (CID 67446366) is (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone.
What is the SMILES notation for (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone?
The canonical SMILES for (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone is CCc1ccc(Nc2ccc(C(=O)c3c[nH]c4ncnc(N)c34)c(F)n2)cn1.
What is the InChIKey of (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone?
The InChIKey is NJDNEOJYPDSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-2-10-3-4-11(7-22-10)26-14-6-5-12(17(20)27-14)16(28)13-8-23-19-15(13)18(21)24-9-25-19/h3-9H,2H2,1H3,(H,26,27)(H3,21,23,24,25).
What are the key properties of (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone?
(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone has a molecular weight of 377.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone is sourced from PubChem (CID 67446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).