N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C23H22F2N4O2 — CID 90419713

IUPACN-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC(C(=O)NC4CC(F)C4)NC3)cc12
InChIInChI=1S/C23H22F2N4O2/c1-31-21-3-2-13(24)9-17(21)16-4-5-26-22-18(16)10-19(29-22)12-6-20(27-11-12)23(30)28-15-7-14(25)8-15/h2-6,9-10,14-15,20,27H,7-8,11H2,1H3,(H,26,29)(H,28,30)
InChIKeyVNYREXRPLZVQQG-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.35
Rot. Bonds5

About N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 90419713) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID90419713
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC NameN-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC(C(=O)NC4CC(F)C4)NC3)cc12
InChIInChI=1S/C23H22F2N4O2/c1-31-21-3-2-13(24)9-17(21)16-4-5-26-22-18(16)10-19(29-22)12-6-20(27-11-12)23(30)28-15-7-14(25)8-15/h2-6,9-10,14-15,20,27H,7-8,11H2,1H3,(H,26,29)(H,28,30)
InChIKeyVNYREXRPLZVQQG-UHFFFAOYSA-N
XLogP3.35
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 90419713) is N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC(C(=O)NC4CC(F)C4)NC3)cc12.
What is the InChIKey of N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is VNYREXRPLZVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-31-21-3-2-13(24)9-17(21)16-4-5-26-22-18(16)10-19(29-22)12-6-20(27-11-12)23(30)28-15-7-14(25)8-15/h2-6,9-10,14-15,20,27H,7-8,11H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 90419713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).