2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide

C25H26N4O3 — CID 134807844

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-25(2,24(30)27-22-11-7-8-14-26-22)32-23-20-15-19(17-31-3)12-13-21(20)29(28-23)16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,26,27,30)
InChIKeyQTAQPTLZTYWQGN-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.42
Rot. Bonds8

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 134807844) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID134807844
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-25(2,24(30)27-22-11-7-8-14-26-22)32-23-20-15-19(17-31-3)12-13-21(20)29(28-23)16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,26,27,30)
InChIKeyQTAQPTLZTYWQGN-UHFFFAOYSA-N
XLogP4.42
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116961
(S)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116962
(R)-N-methyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116963
(R)-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16117085
N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]acetamide
CID 16117089
(R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N,N-dimethylpropanamide
CID 16117348
(S)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N,N-dimethylpropanamide
CID 16117483
(R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N-methylpropanamide
CID 16118035
1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(S)-(1-hydroxycyclopentyl)-phenylmethyl]urea
CID 76071323
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365037
1-[3-(2,6-dimethyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
CID 118365079
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118365120

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide (CID 134807844) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is QTAQPTLZTYWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2,24(30)27-22-11-7-8-14-26-22)32-23-20-15-19(17-31-3)12-13-21(20)29(28-23)16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,26,27,30).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 430.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 134807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).