4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C24H23FN6O2 — CID 90413514

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C)c4)CC3)cc12
InChIInChI=1S/C24H23FN6O2/c1-30-14-17(13-27-30)28-24(32)31-9-6-15(7-10-31)21-12-20-18(5-8-26-23(20)29-21)19-11-16(25)3-4-22(19)33-2/h3-6,8,11-14H,7,9-10H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyHZFFZBYHACEEHO-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.43
Rot. Bonds4

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90413514) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90413514
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C)c4)CC3)cc12
InChIInChI=1S/C24H23FN6O2/c1-30-14-17(13-27-30)28-24(32)31-9-6-15(7-10-31)21-12-20-18(5-8-26-23(20)29-21)19-11-16(25)3-4-22(19)33-2/h3-6,8,11-14H,7,9-10H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyHZFFZBYHACEEHO-UHFFFAOYSA-N
XLogP4.43
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90413514) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C)c4)CC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HZFFZBYHACEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-30-14-17(13-27-30)28-24(32)31-9-6-15(7-10-31)21-12-20-18(5-8-26-23(20)29-21)19-11-16(25)3-4-22(19)33-2/h3-6,8,11-14H,7,9-10H2,1-2H3,(H,26,29)(H,28,32).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90413514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).