N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C28H30FN5O3 — CID 56591177

IUPACN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC(OC)C1
InChIInChI=1S/C28H30FN5O3/c1-17-11-18(9-10-30-17)27-22-12-19(7-8-25(22)32-33-27)28(35)31-20-13-21(36-2)15-34(14-20)16-23-24(29)5-4-6-26(23)37-3/h4-12,20-21H,13-16H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyJPKQTWJJCQOXCU-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.10
Rot. Bonds7

About N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 56591177) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID56591177
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC NameN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC(OC)C1
InChIInChI=1S/C28H30FN5O3/c1-17-11-18(9-10-30-17)27-22-12-19(7-8-25(22)32-33-27)28(35)31-20-13-21(36-2)15-34(14-20)16-23-24(29)5-4-6-26(23)37-3/h4-12,20-21H,13-16H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyJPKQTWJJCQOXCU-UHFFFAOYSA-N
XLogP4.10
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 130301889
Teplinovivint
CID 89451003
H3B-6545
CID 124091099
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46190875
(S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226075
(S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226076
6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 46884881
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596231
N-methyl-3-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 67124352

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 56591177) is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC(OC)C1.
What is the InChIKey of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is JPKQTWJJCQOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c1-17-11-18(9-10-30-17)27-22-12-19(7-8-25(22)32-33-27)28(35)31-20-13-21(36-2)15-34(14-20)16-23-24(29)5-4-6-26(23)37-3/h4-12,20-21H,13-16H2,1-3H3,(H,31,35)(H,32,33).
What are the key properties of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).