N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

C19H17FN4O2 — CID 163250814

IUPACN-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OC3CC3)c[nH]c2n1)C1CC1F
InChIInChI=1S/C19H17FN4O2/c20-15-8-13(15)18(25)24-16-6-5-11-14(9-22-17(11)23-16)12-2-1-7-21-19(12)26-10-3-4-10/h1-2,5-7,9-10,13,15H,3-4,8H2,(H2,22,23,24,25)
InChIKeyHWMBUHGLCAOUHE-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.46
Rot. Bonds5

About N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163250814) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163250814
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OC3CC3)c[nH]c2n1)C1CC1F
InChIInChI=1S/C19H17FN4O2/c20-15-8-13(15)18(25)24-16-6-5-11-14(9-22-17(11)23-16)12-2-1-7-21-19(12)26-10-3-4-10/h1-2,5-7,9-10,13,15H,3-4,8H2,(H2,22,23,24,25)
InChIKeyHWMBUHGLCAOUHE-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (CID 163250814) is N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1ccc2c(-c3cccnc3OC3CC3)c[nH]c2n1)C1CC1F.
What is the InChIKey of N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is HWMBUHGLCAOUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-8-13(15)18(25)24-16-6-5-11-14(9-22-17(11)23-16)12-2-1-7-21-19(12)26-10-3-4-10/h1-2,5-7,9-10,13,15H,3-4,8H2,(H2,22,23,24,25).
What are the key properties of N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163250814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).