N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

C22H23FN6O2 — CID 168958716

IUPACN-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1ccc2cc(C(=O)NC3COc4nc(N5CC6CC(C5)N6)c(F)cc4C3)cnc21
InChIInChI=1S/C22H23FN6O2/c1-28-3-2-12-4-14(8-24-19(12)28)21(30)26-17-5-13-6-18(23)20(27-22(13)31-11-17)29-9-15-7-16(10-29)25-15/h2-4,6,8,15-17,25H,5,7,9-11H2,1H3,(H,26,30)
InChIKeyWFFNXCGIBPKUJY-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.39
Rot. Bonds3

About N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 168958716) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID168958716
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1ccc2cc(C(=O)NC3COc4nc(N5CC6CC(C5)N6)c(F)cc4C3)cnc21
InChIInChI=1S/C22H23FN6O2/c1-28-3-2-12-4-14(8-24-19(12)28)21(30)26-17-5-13-6-18(23)20(27-22(13)31-11-17)29-9-15-7-16(10-29)25-15/h2-4,6,8,15-17,25H,5,7,9-11H2,1H3,(H,26,30)
InChIKeyWFFNXCGIBPKUJY-UHFFFAOYSA-N
XLogP1.39
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-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

N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 168959263
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 137489588
N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 167224778
N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 146349663
(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide
CID 137489711
7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide
CID 167225744
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-fluorothieno[2,3-b]pyridine-2-carboxamide
CID 137488609
6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 151712743
6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 151712742
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
CID 167224768
(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 167600228

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 168958716) is N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is Cn1ccc2cc(C(=O)NC3COc4nc(N5CC6CC(C5)N6)c(F)cc4C3)cnc21.
What is the InChIKey of N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is WFFNXCGIBPKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-28-3-2-12-4-14(8-24-19(12)28)21(30)26-17-5-13-6-18(23)20(27-22(13)31-11-17)29-9-15-7-16(10-29)25-15/h2-4,6,8,15-17,25H,5,7,9-11H2,1H3,(H,26,30).
What are the key properties of N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 168958716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).