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

C18H13ClFN5O — CID 162734537

IUPACtrans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]ccc4c3Cl)ccn2n1)[C@H]1C[C@@H]1F
InChIInChI=1S/C18H13ClFN5O/c19-16-11-1-3-21-17(11)22-8-13(16)9-2-4-25-10(5-9)6-15(24-25)23-18(26)12-7-14(12)20/h1-6,8,12,14H,7H2,(H,21,22)(H,23,24,26)/t12-,14-/m0/s1
InChIKeyPELIWNRKLAFPFO-JSGCOSHPSA-N
MW369.79 g/mol
LogP3.83
Rot. Bonds3

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

trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 162734537) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID162734537
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Nametrans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]ccc4c3Cl)ccn2n1)[C@H]1C[C@@H]1F
InChIInChI=1S/C18H13ClFN5O/c19-16-11-1-3-21-17(11)22-8-13(16)9-2-4-25-10(5-9)6-15(24-25)23-18(26)12-7-14(12)20/h1-6,8,12,14H,7H2,(H,21,22)(H,23,24,26)/t12-,14-/m0/s1
InChIKeyPELIWNRKLAFPFO-JSGCOSHPSA-N
XLogP3.83
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 162734537) is trans-(1R,2S)-N-[5-(4-chloro-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 trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-N-[5-(4-chloro-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]ccc4c3Cl)ccn2n1)[C@H]1C[C@@H]1F.
What is the InChIKey of trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PELIWNRKLAFPFO-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c19-16-11-1-3-21-17(11)22-8-13(16)9-2-4-25-10(5-9)6-15(24-25)23-18(26)12-7-14(12)20/h1-6,8,12,14H,7H2,(H,21,22)(H,23,24,26)/t12-,14-/m0/s1.
What are the key properties of trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 369.79 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 162734537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).