1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide

C22H26FN7O — CID 155665955

IUPAC1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCNC(c2nc(Nc3cccc(F)c3)nc3[nH]ccc23)C1
InChIInChI=1S/C22H26FN7O/c23-13-3-1-4-14(11-13)27-22-28-19(16-7-9-26-21(16)29-22)17-12-15(6-8-25-17)30-10-2-5-18(30)20(24)31/h1,3-4,7,9,11,15,17-18,25H,2,5-6,8,10,12H2,(H2,24,31)(H2,26,27,28,29)
InChIKeyLHFDYWCANWLZNC-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.58
Rot. Bonds5

About 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 155665955) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID155665955
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCNC(c2nc(Nc3cccc(F)c3)nc3[nH]ccc23)C1
InChIInChI=1S/C22H26FN7O/c23-13-3-1-4-14(11-13)27-22-28-19(16-7-9-26-21(16)29-22)17-12-15(6-8-25-17)30-10-2-5-18(30)20(24)31/h1,3-4,7,9,11,15,17-18,25H,2,5-6,8,10,12H2,(H2,24,31)(H2,26,27,28,29)
InChIKeyLHFDYWCANWLZNC-UHFFFAOYSA-N
XLogP2.58
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide 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-N-(3-fluorophenyl)-4-N-[(3S)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155665983
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
2-cyclohexyl-1-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 53140070
3-[[4-(7-oxo-6-azabicyclo[3.2.1]octan-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25159023
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930
3-[[2-(3-sulfamoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 59240693
N-[3-[[4-(4-methoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 102140486
3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25155134
sodium acetyl-[3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonylazanide
CID 25159297
(2-chloro-3-pyridinyl)-[(3R)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95094595
2-fluoro-6-[[2-[[5-methoxy-1-[(2S)-1-methylpyrrolidine-2-carbonyl]-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 59441755
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 155665955) is 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCNC(c2nc(Nc3cccc(F)c3)nc3[nH]ccc23)C1.
What is the InChIKey of 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is LHFDYWCANWLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c23-13-3-1-4-14(11-13)27-22-28-19(16-7-9-26-21(16)29-22)17-12-15(6-8-25-17)30-10-2-5-18(30)20(24)31/h1,3-4,7,9,11,15,17-18,25H,2,5-6,8,10,12H2,(H2,24,31)(H2,26,27,28,29).
What are the key properties of 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155665955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).