7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

C23H22FN5O3 — CID 146549632

IUPAC7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCn1cc(-c2ccc(C(F)c3cc(C(=O)NC4CCOCC4)nc4ccoc34)cn2)cn1
InChIInChI=1S/C23H22FN5O3/c1-29-13-15(12-26-29)18-3-2-14(11-25-18)21(24)17-10-20(28-19-6-9-32-22(17)19)23(30)27-16-4-7-31-8-5-16/h2-3,6,9-13,16,21H,4-5,7-8H2,1H3,(H,27,30)
InChIKeyLSDCLMVMVLPMRP-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.59
Rot. Bonds5

About 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 146549632) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID146549632
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCn1cc(-c2ccc(C(F)c3cc(C(=O)NC4CCOCC4)nc4ccoc34)cn2)cn1
InChIInChI=1S/C23H22FN5O3/c1-29-13-15(12-26-29)18-3-2-14(11-25-18)21(24)17-10-20(28-19-6-9-32-22(17)19)23(30)27-16-4-7-31-8-5-16/h2-3,6,9-13,16,21H,4-5,7-8H2,1H3,(H,27,30)
InChIKeyLSDCLMVMVLPMRP-UHFFFAOYSA-N
XLogP3.59
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (CID 146549632) is 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is Cn1cc(-c2ccc(C(F)c3cc(C(=O)NC4CCOCC4)nc4ccoc34)cn2)cn1.
What is the InChIKey of 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is LSDCLMVMVLPMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-29-13-15(12-26-29)18-3-2-14(11-25-18)21(24)17-10-20(28-19-6-9-32-22(17)19)23(30)27-16-4-7-31-8-5-16/h2-3,6,9-13,16,21H,4-5,7-8H2,1H3,(H,27,30).
What are the key properties of 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 146549632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).