cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C18H12Cl2FN5O — CID 169305662

IUPACcis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3Cl)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H12Cl2FN5O/c19-12-7-23-17-15(12)16(20)11(6-22-17)8-1-2-26-9(3-8)4-14(25-26)24-18(27)10-5-13(10)21/h1-4,6-7,10,13H,5H2,(H,22,23)(H,24,25,27)/t10-,13+/m1/s1
InChIKeyZCWRJICNHZNBPI-MFKMUULPSA-N
MW404.23 g/mol
LogP4.48
Rot. Bonds3

About cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169305662) has the molecular formula C18H12Cl2FN5O and a molecular weight of 404.23 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID169305662
Molecular FormulaC18H12Cl2FN5O
Molecular Weight404.23 g/mol
Exact Mass403.04
IUPAC Namecis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3Cl)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H12Cl2FN5O/c19-12-7-23-17-15(12)16(20)11(6-22-17)8-1-2-26-9(3-8)4-14(25-26)24-18(27)10-5-13(10)21/h1-4,6-7,10,13H,5H2,(H,22,23)(H,24,25,27)/t10-,13+/m1/s1
InChIKeyZCWRJICNHZNBPI-MFKMUULPSA-N
XLogP4.48
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-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 cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169305662) is cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3Cl)ccn2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is ZCWRJICNHZNBPI-MFKMUULPSA-N. The full InChI is InChI=1S/C18H12Cl2FN5O/c19-12-7-23-17-15(12)16(20)11(6-22-17)8-1-2-26-9(3-8)4-14(25-26)24-18(27)10-5-13(10)21/h1-4,6-7,10,13H,5H2,(H,22,23)(H,24,25,27)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 404.23 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(3,4-dichloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169305662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).