N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C25H24FN5O2 — CID 166997641

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12)c1cccc(F)c1
InChIInChI=1S/C25H24FN5O2/c1-16(17-3-2-4-20(26)11-17)30-25(32)22-15-29-24-21(22)12-19(14-28-24)18-5-6-23(27-13-18)31-7-9-33-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,28,29)(H,30,32)/t16-/m0/s1
InChIKeyRFRAHGCQJCWQSD-INIZCTEOSA-N
MW445.50 g/mol
LogP4.09
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 166997641) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID166997641
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12)c1cccc(F)c1
InChIInChI=1S/C25H24FN5O2/c1-16(17-3-2-4-20(26)11-17)30-25(32)22-15-29-24-21(22)12-19(14-28-24)18-5-6-23(27-13-18)31-7-9-33-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,28,29)(H,30,32)/t16-/m0/s1
InChIKeyRFRAHGCQJCWQSD-INIZCTEOSA-N
XLogP4.09
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 166997641) is N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RFRAHGCQJCWQSD-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16(17-3-2-4-20(26)11-17)30-25(32)22-15-29-24-21(22)12-19(14-28-24)18-5-6-23(27-13-18)31-7-9-33-10-8-31/h2-6,11-16H,7-10H2,1H3,(H,28,29)(H,30,32)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 166997641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).