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

C19H21FN6O — CID 67453245

IUPAC[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCNc1ncnc2[nH]cc(C(=O)c3ccc(NC4CCCCC4)nc3F)c12
InChIInChI=1S/C19H21FN6O/c1-21-18-15-13(9-22-19(15)24-10-23-18)16(27)12-7-8-14(26-17(12)20)25-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyMLZJHYYTGXCFDI-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.51
Rot. Bonds5

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

[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 67453245) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID67453245
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCNc1ncnc2[nH]cc(C(=O)c3ccc(NC4CCCCC4)nc3F)c12
InChIInChI=1S/C19H21FN6O/c1-21-18-15-13(9-22-19(15)24-10-23-18)16(27)12-7-8-14(26-17(12)20)25-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyMLZJHYYTGXCFDI-UHFFFAOYSA-N
XLogP3.51
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-6-(cyclohexylmethyl)-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485852
[4-(2-cyclopropylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[6-[(3,3-difluorocyclobutyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 123945905
[2-chloro-6-[(4,4-difluorocyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485745
1-[2-[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone
CID 151582931
(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-cyclopropyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 67446447
[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-[(1,1-dioxothian-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485840
[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
3-[[5-[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-one
CID 58485807
1-[4-[[5-[4-(4-fluorophenoxy)benzoyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]propan-2-one
CID 159174907
[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
(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 67446366

Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 67453245) is [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is CNc1ncnc2[nH]cc(C(=O)c3ccc(NC4CCCCC4)nc3F)c12.
What is the InChIKey of [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is MLZJHYYTGXCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-21-18-15-13(9-22-19(15)24-10-23-18)16(27)12-7-8-14(26-17(12)20)25-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
[6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 368.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylamino)-2-fluoro-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 67453245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).