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3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide

C33H36FN9O2 — CID 156869766

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
SMILESCn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1
InChIInChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44)
InChIKeyMIFQLKHZJYJFBF-UHFFFAOYSA-N
MW609.71 g/mol
LogP3.30
Rot. Bonds7

About 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide

3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide (PubChem CID 156869766) has the molecular formula C33H36FN9O2 and a molecular weight of 609.71 g/mol. Its IUPAC name is 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
PubChem CID156869766
Molecular FormulaC33H36FN9O2
Molecular Weight609.71 g/mol
Exact Mass609.30
IUPAC Name3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
SMILESCn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1
InChIInChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44)
InChIKeyMIFQLKHZJYJFBF-UHFFFAOYSA-N
XLogP3.30
TPSA118.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide (CID 156869766) is 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide is Cn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1.
What is the InChIKey of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The InChIKey is MIFQLKHZJYJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44).
What are the key properties of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide has a molecular weight of 609.71 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide is sourced from PubChem (CID 156869766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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