N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H35N7O2 — CID 118382362

IUPACN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)ccn2)CC1
InChIInChI=1S/C30H35N7O2/c1-36-13-8-25(9-14-36)39-28-17-24(7-10-32-28)33-30(38)29-26-16-22(5-6-27(26)34-35-29)23-15-21(18-31-19-23)20-37-11-3-2-4-12-37/h5-7,10,15-19,25H,2-4,8-9,11-14,20H2,1H3,(H,34,35)(H,32,33,38)
InChIKeyXEGOSZVXMZTLHR-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.73
Rot. Bonds7

About N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382362) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382362
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC NameN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)ccn2)CC1
InChIInChI=1S/C30H35N7O2/c1-36-13-8-25(9-14-36)39-28-17-24(7-10-32-28)33-30(38)29-26-16-22(5-6-27(26)34-35-29)23-15-21(18-31-19-23)20-37-11-3-2-4-12-37/h5-7,10,15-19,25H,2-4,8-9,11-14,20H2,1H3,(H,34,35)(H,32,33,38)
InChIKeyXEGOSZVXMZTLHR-UHFFFAOYSA-N
XLogP4.73
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Teplinovivint
CID 89451003
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145967469
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
2-cyclopentyl-N-(3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazol-5-yl)-2-(pyridin-2-yl)acetamide
CID 86711057
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777934
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777943
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(5-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777949
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
4-[[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]cinnoline-3-carboxamide
CID 138504490
5-[5-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146254726

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382362) is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCC(Oc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)ccn2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is XEGOSZVXMZTLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-36-13-8-25(9-14-36)39-28-17-24(7-10-32-28)33-30(38)29-26-16-22(5-6-27(26)34-35-29)23-15-21(18-31-19-23)20-37-11-3-2-4-12-37/h5-7,10,15-19,25H,2-4,8-9,11-14,20H2,1H3,(H,34,35)(H,32,33,38).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 525.66 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).