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

C20H19FN4O2 — CID 163250925

IUPACcis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OCC3CC3)c[nH]c2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C20H19FN4O2/c21-16-8-14(16)19(26)25-17-6-5-12-15(9-23-18(12)24-17)13-2-1-7-22-20(13)27-10-11-3-4-11/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H2,23,24,25,26)/t14-,16+/m1/s1
InChIKeyUUJITBBWHKFTST-ZBFHGGJFSA-N
MW366.40 g/mol
LogP3.71
Rot. Bonds6

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

cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163250925) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163250925
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Namecis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OCC3CC3)c[nH]c2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C20H19FN4O2/c21-16-8-14(16)19(26)25-17-6-5-12-15(9-23-18(12)24-17)13-2-1-7-22-20(13)27-10-11-3-4-11/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H2,23,24,25,26)/t14-,16+/m1/s1
InChIKeyUUJITBBWHKFTST-ZBFHGGJFSA-N
XLogP3.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (CID 163250925) is cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1ccc2c(-c3cccnc3OCC3CC3)c[nH]c2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is UUJITBBWHKFTST-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-8-14(16)19(26)25-17-6-5-12-15(9-23-18(12)24-17)13-2-1-7-22-20(13)27-10-11-3-4-11/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H2,23,24,25,26)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[3-[2-(cyclopropylmethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).