{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid

C22H25N5O4 — CID 71714669

IUPAC2-[4-[[[5-(5-methoxy-3-pyridinyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
SMILESCOC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C(=O)NCC4CCN(CC4)CC(=O)O
InChIInChI=1S/C22H25N5O4/c1-31-17-8-16(11-23-12-17)15-2-3-19-18(9-15)21(26-25-19)22(30)24-10-14-4-6-27(7-5-14)13-20(28)29/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3,(H,24,30)(H,25,26)(H,28,29)
InChIKeyLCYDHOUWGGYAFJ-UHFFFAOYSA-N
MW423.50 g/mol
LogP-0.20
Rot. Bonds7

About {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid

{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid (PubChem CID 71714669) has the molecular formula C22H25N5O4 and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[4-[[[5-(5-methoxy-3-pyridinyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid
PubChem CID71714669
Molecular FormulaC22H25N5O4
Molecular Weight423.50 g/mol
Exact Mass423.19
IUPAC Name2-[4-[[[5-(5-methoxy-3-pyridinyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
SMILESCOC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C(=O)NCC4CCN(CC4)CC(=O)O
InChIInChI=1S/C22H25N5O4/c1-31-17-8-16(11-23-12-17)15-2-3-19-18(9-15)21(26-25-19)22(30)24-10-14-4-6-27(7-5-14)13-20(28)29/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3,(H,24,30)(H,25,26)(H,28,29)
InChIKeyLCYDHOUWGGYAFJ-UHFFFAOYSA-N
XLogP-0.20
TPSA120.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity627

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280161
3-[4-methoxy-3-[2-oxo-2-[5-(2-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 44555661
Teplinovivint
CID 89451003
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
N-methyl-3-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 67124352
5-[[4-[[[5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 89767067

Frequently Asked Questions

What is the IUPAC name of {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid?
The IUPAC name of {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid (CID 71714669) is 2-[4-[[[5-(5-methoxy-3-pyridinyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid?
The canonical SMILES for {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid is COC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C(=O)NCC4CCN(CC4)CC(=O)O.
What is the InChIKey of {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid?
The InChIKey is LCYDHOUWGGYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-31-17-8-16(11-23-12-17)15-2-3-19-18(9-15)21(26-25-19)22(30)24-10-14-4-6-27(7-5-14)13-20(28)29/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3,(H,24,30)(H,25,26)(H,28,29).
What are the key properties of {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid?
{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid has a molecular weight of 423.50 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for {4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid is sourced from PubChem (CID 71714669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).