N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C26H26FN5O — CID 164615128

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H26FN5O/c27-23-6-2-1-4-21(23)17-32-12-9-18(10-13-32)15-29-26(33)25-22-14-19(7-8-24(22)30-31-25)20-5-3-11-28-16-20/h1-8,11,14,16,18H,9-10,12-13,15,17H2,(H,29,33)(H,30,31)
InChIKeyXGLLPXIGVHKLST-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.41
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 164615128) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID164615128
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H26FN5O/c27-23-6-2-1-4-21(23)17-32-12-9-18(10-13-32)15-29-26(33)25-22-14-19(7-8-24(22)30-31-25)20-5-3-11-28-16-20/h1-8,11,14,16,18H,9-10,12-13,15,17H2,(H,29,33)(H,30,31)
InChIKeyXGLLPXIGVHKLST-UHFFFAOYSA-N
XLogP4.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 164615128) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(NCC1CCN(Cc2ccccc2F)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is XGLLPXIGVHKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-23-6-2-1-4-21(23)17-32-12-9-18(10-13-32)15-29-26(33)25-22-14-19(7-8-24(22)30-31-25)20-5-3-11-28-16-20/h1-8,11,14,16,18H,9-10,12-13,15,17H2,(H,29,33)(H,30,31).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 164615128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).