2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

C27H28FN5O2 — CID 174252114

IUPAC2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)N[C@H]1CCNC[C@H]1F
InChIInChI=1S/C27H28FN5O2/c1-3-17-12-18(5-7-22(17)27(34)32-24-9-10-29-16-23(24)28)25-13-21(8-11-30-25)35-20-6-4-19-15-31-33(2)26(19)14-20/h4-8,11-15,23-24,29H,3,9-10,16H2,1-2H3,(H,32,34)/t23-,24+/m1/s1
InChIKeyDDGRSTLQLSXFKK-RPWUZVMVSA-N
MW473.55 g/mol
LogP4.42
Rot. Bonds6

About 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (PubChem CID 174252114) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
PubChem CID174252114
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)N[C@H]1CCNC[C@H]1F
InChIInChI=1S/C27H28FN5O2/c1-3-17-12-18(5-7-22(17)27(34)32-24-9-10-29-16-23(24)28)25-13-21(8-11-30-25)35-20-6-4-19-15-31-33(2)26(19)14-20/h4-8,11-15,23-24,29H,3,9-10,16H2,1-2H3,(H,32,34)/t23-,24+/m1/s1
InChIKeyDDGRSTLQLSXFKK-RPWUZVMVSA-N
XLogP4.42
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (CID 174252114) is 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is CCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)N[C@H]1CCNC[C@H]1F.
What is the InChIKey of 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is DDGRSTLQLSXFKK-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-3-17-12-18(5-7-22(17)27(34)32-24-9-10-29-16-23(24)28)25-13-21(8-11-30-25)35-20-6-4-19-15-31-33(2)26(19)14-20/h4-8,11-15,23-24,29H,3,9-10,16H2,1-2H3,(H,32,34)/t23-,24+/m1/s1.
What are the key properties of 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 174252114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).